Add files using upload-large-folder tool
Browse files- structures/1bz3.cif +1481 -0
- structures/1ik1.cif +1349 -0
- structures/1lu3.cif +1814 -0
- structures/1y95.cif +0 -0
- structures/2ljj.cif +0 -0
- structures/3add.cif +0 -0
- structures/3j5l.cif +0 -0
- structures/3ok2.cif +0 -0
- structures/480d.cif +0 -0
- structures/4jv5.cif +0 -0
- structures/4oji.cif +0 -0
- structures/5e54.cif +0 -0
- structures/5nrg.cif +0 -0
- structures/6w7n.cif +0 -0
- structures/6wbr.cif +0 -0
- structures/7zo1.cif +0 -0
- structures/8keb.cif +0 -0
- structures/8p1m.cif +0 -0
- structures/8pso.cif +0 -0
- structures/8wcs.cif +0 -0
structures/1bz3.cif
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|
| 1 |
+
data_1BZ3
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1BZ3
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.392
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 1BZ3 pdb_00001bz3 10.2210/pdb1bz3/pdb
|
| 15 |
+
WWPDB D_1000172153 ? ?
|
| 16 |
+
#
|
| 17 |
+
loop_
|
| 18 |
+
_pdbx_audit_revision_history.ordinal
|
| 19 |
+
_pdbx_audit_revision_history.data_content_type
|
| 20 |
+
_pdbx_audit_revision_history.major_revision
|
| 21 |
+
_pdbx_audit_revision_history.minor_revision
|
| 22 |
+
_pdbx_audit_revision_history.revision_date
|
| 23 |
+
1 'Structure model' 1 0 1999-04-27
|
| 24 |
+
2 'Structure model' 1 1 2008-03-24
|
| 25 |
+
3 'Structure model' 1 2 2011-07-13
|
| 26 |
+
4 'Structure model' 1 3 2022-02-16
|
| 27 |
+
5 'Structure model' 1 4 2024-05-22
|
| 28 |
+
#
|
| 29 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 30 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 32 |
+
_pdbx_audit_revision_details.provider repository
|
| 33 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 34 |
+
_pdbx_audit_revision_details.description ?
|
| 35 |
+
_pdbx_audit_revision_details.details ?
|
| 36 |
+
#
|
| 37 |
+
loop_
|
| 38 |
+
_pdbx_audit_revision_group.ordinal
|
| 39 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 40 |
+
_pdbx_audit_revision_group.data_content_type
|
| 41 |
+
_pdbx_audit_revision_group.group
|
| 42 |
+
1 2 'Structure model' 'Version format compliance'
|
| 43 |
+
2 3 'Structure model' 'Version format compliance'
|
| 44 |
+
3 4 'Structure model' 'Data collection'
|
| 45 |
+
4 4 'Structure model' 'Database references'
|
| 46 |
+
5 4 'Structure model' 'Derived calculations'
|
| 47 |
+
6 4 'Structure model' Other
|
| 48 |
+
7 5 'Structure model' 'Data collection'
|
| 49 |
+
#
|
| 50 |
+
loop_
|
| 51 |
+
_pdbx_audit_revision_category.ordinal
|
| 52 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 53 |
+
_pdbx_audit_revision_category.data_content_type
|
| 54 |
+
_pdbx_audit_revision_category.category
|
| 55 |
+
1 4 'Structure model' database_2
|
| 56 |
+
2 4 'Structure model' pdbx_database_status
|
| 57 |
+
3 4 'Structure model' pdbx_nmr_software
|
| 58 |
+
4 4 'Structure model' pdbx_struct_assembly
|
| 59 |
+
5 4 'Structure model' pdbx_struct_oper_list
|
| 60 |
+
6 5 'Structure model' chem_comp_atom
|
| 61 |
+
7 5 'Structure model' chem_comp_bond
|
| 62 |
+
#
|
| 63 |
+
loop_
|
| 64 |
+
_pdbx_audit_revision_item.ordinal
|
| 65 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 66 |
+
_pdbx_audit_revision_item.data_content_type
|
| 67 |
+
_pdbx_audit_revision_item.item
|
| 68 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 69 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 70 |
+
3 4 'Structure model' '_pdbx_database_status.process_site'
|
| 71 |
+
4 4 'Structure model' '_pdbx_nmr_software.name'
|
| 72 |
+
#
|
| 73 |
+
_pdbx_database_status.status_code REL
|
| 74 |
+
_pdbx_database_status.entry_id 1BZ3
|
| 75 |
+
_pdbx_database_status.recvd_initial_deposition_date 1998-11-05
|
| 76 |
+
_pdbx_database_status.deposit_site ?
|
| 77 |
+
_pdbx_database_status.process_site BNL
|
| 78 |
+
_pdbx_database_status.status_code_sf ?
|
| 79 |
+
_pdbx_database_status.status_code_mr REL
|
| 80 |
+
_pdbx_database_status.SG_entry ?
|
| 81 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 82 |
+
_pdbx_database_status.status_code_cs ?
|
| 83 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 84 |
+
_pdbx_database_status.methods_development_category ?
|
| 85 |
+
#
|
| 86 |
+
loop_
|
| 87 |
+
_audit_author.name
|
| 88 |
+
_audit_author.pdbx_ordinal
|
| 89 |
+
'Durant, P.C.' 1
|
| 90 |
+
'Davis, D.R.' 2
|
| 91 |
+
#
|
| 92 |
+
_citation.id primary
|
| 93 |
+
_citation.title
|
| 94 |
+
'Stabilization of the anticodon stem-loop of tRNALys,3 by an A+-C base-pair and by pseudouridine.'
|
| 95 |
+
_citation.journal_abbrev J.Mol.Biol.
|
| 96 |
+
_citation.journal_volume 285
|
| 97 |
+
_citation.page_first 115
|
| 98 |
+
_citation.page_last 131
|
| 99 |
+
_citation.year 1999
|
| 100 |
+
_citation.journal_id_ASTM JMOBAK
|
| 101 |
+
_citation.country UK
|
| 102 |
+
_citation.journal_id_ISSN 0022-2836
|
| 103 |
+
_citation.journal_id_CSD 0070
|
| 104 |
+
_citation.book_publisher ?
|
| 105 |
+
_citation.pdbx_database_id_PubMed 9878393
|
| 106 |
+
_citation.pdbx_database_id_DOI 10.1006/jmbi.1998.2297
|
| 107 |
+
#
|
| 108 |
+
loop_
|
| 109 |
+
_citation_author.citation_id
|
| 110 |
+
_citation_author.name
|
| 111 |
+
_citation_author.ordinal
|
| 112 |
+
_citation_author.identifier_ORCID
|
| 113 |
+
primary 'Durant, P.C.' 1 ?
|
| 114 |
+
primary 'Davis, D.R.' 2 ?
|
| 115 |
+
#
|
| 116 |
+
_entity.id 1
|
| 117 |
+
_entity.type polymer
|
| 118 |
+
_entity.src_method syn
|
| 119 |
+
_entity.pdbx_description TRNA
|
| 120 |
+
_entity.formula_weight 5350.189
|
| 121 |
+
_entity.pdbx_number_of_molecules 1
|
| 122 |
+
_entity.pdbx_ec ?
|
| 123 |
+
_entity.pdbx_mutation ?
|
| 124 |
+
_entity.pdbx_fragment 'ANTICODON (RESIDUES 27-43)'
|
| 125 |
+
_entity.details ?
|
| 126 |
+
#
|
| 127 |
+
_entity_poly.entity_id 1
|
| 128 |
+
_entity_poly.type polyribonucleotide
|
| 129 |
+
_entity_poly.nstd_linkage no
|
| 130 |
+
_entity_poly.nstd_monomer no
|
| 131 |
+
_entity_poly.pdbx_seq_one_letter_code UCAGACUUUUAAUCUGA
|
| 132 |
+
_entity_poly.pdbx_seq_one_letter_code_can UCAGACUUUUAAUCUGA
|
| 133 |
+
_entity_poly.pdbx_strand_id A
|
| 134 |
+
_entity_poly.pdbx_target_identifier ?
|
| 135 |
+
#
|
| 136 |
+
loop_
|
| 137 |
+
_entity_poly_seq.entity_id
|
| 138 |
+
_entity_poly_seq.num
|
| 139 |
+
_entity_poly_seq.mon_id
|
| 140 |
+
_entity_poly_seq.hetero
|
| 141 |
+
1 1 U n
|
| 142 |
+
1 2 C n
|
| 143 |
+
1 3 A n
|
| 144 |
+
1 4 G n
|
| 145 |
+
1 5 A n
|
| 146 |
+
1 6 C n
|
| 147 |
+
1 7 U n
|
| 148 |
+
1 8 U n
|
| 149 |
+
1 9 U n
|
| 150 |
+
1 10 U n
|
| 151 |
+
1 11 A n
|
| 152 |
+
1 12 A n
|
| 153 |
+
1 13 U n
|
| 154 |
+
1 14 C n
|
| 155 |
+
1 15 U n
|
| 156 |
+
1 16 G n
|
| 157 |
+
1 17 A n
|
| 158 |
+
#
|
| 159 |
+
loop_
|
| 160 |
+
_chem_comp.id
|
| 161 |
+
_chem_comp.type
|
| 162 |
+
_chem_comp.mon_nstd_flag
|
| 163 |
+
_chem_comp.name
|
| 164 |
+
_chem_comp.pdbx_synonyms
|
| 165 |
+
_chem_comp.formula
|
| 166 |
+
_chem_comp.formula_weight
|
| 167 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 168 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 169 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 170 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 171 |
+
#
|
| 172 |
+
loop_
|
| 173 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 174 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 175 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 176 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 177 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 178 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 179 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 180 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 181 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 182 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 183 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 184 |
+
_pdbx_poly_seq_scheme.hetero
|
| 185 |
+
A 1 1 U 1 27 27 U U A . n
|
| 186 |
+
A 1 2 C 2 28 28 C C A . n
|
| 187 |
+
A 1 3 A 3 29 29 A A A . n
|
| 188 |
+
A 1 4 G 4 30 30 G G A . n
|
| 189 |
+
A 1 5 A 5 31 31 A A A . n
|
| 190 |
+
A 1 6 C 6 32 32 C C A . n
|
| 191 |
+
A 1 7 U 7 33 33 U U A . n
|
| 192 |
+
A 1 8 U 8 34 34 U U A . n
|
| 193 |
+
A 1 9 U 9 35 35 U U A . n
|
| 194 |
+
A 1 10 U 10 36 36 U U A . n
|
| 195 |
+
A 1 11 A 11 37 37 A A A . n
|
| 196 |
+
A 1 12 A 12 38 38 A A A . n
|
| 197 |
+
A 1 13 U 13 39 39 U U A . n
|
| 198 |
+
A 1 14 C 14 40 40 C C A . n
|
| 199 |
+
A 1 15 U 15 41 41 U U A . n
|
| 200 |
+
A 1 16 G 16 42 42 G G A . n
|
| 201 |
+
A 1 17 A 17 43 43 A A A . n
|
| 202 |
+
#
|
| 203 |
+
loop_
|
| 204 |
+
_software.name
|
| 205 |
+
_software.classification
|
| 206 |
+
_software.version
|
| 207 |
+
_software.citation_id
|
| 208 |
+
_software.pdbx_ordinal
|
| 209 |
+
VNMR 'model building' . ? 1
|
| 210 |
+
AMBER refinement . ? 2
|
| 211 |
+
VNMR phasing . ? 3
|
| 212 |
+
#
|
| 213 |
+
_cell.entry_id 1BZ3
|
| 214 |
+
_cell.length_a 1.000
|
| 215 |
+
_cell.length_b 1.000
|
| 216 |
+
_cell.length_c 1.000
|
| 217 |
+
_cell.angle_alpha 90.00
|
| 218 |
+
_cell.angle_beta 90.00
|
| 219 |
+
_cell.angle_gamma 90.00
|
| 220 |
+
_cell.Z_PDB 1
|
| 221 |
+
_cell.pdbx_unique_axis ?
|
| 222 |
+
#
|
| 223 |
+
_symmetry.entry_id 1BZ3
|
| 224 |
+
_symmetry.space_group_name_H-M 'P 1'
|
| 225 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 226 |
+
_symmetry.cell_setting ?
|
| 227 |
+
_symmetry.Int_Tables_number 1
|
| 228 |
+
#
|
| 229 |
+
_exptl.entry_id 1BZ3
|
| 230 |
+
_exptl.method 'SOLUTION NMR'
|
| 231 |
+
_exptl.crystals_number ?
|
| 232 |
+
#
|
| 233 |
+
_database_PDB_matrix.entry_id 1BZ3
|
| 234 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 235 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 236 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 237 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 238 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 239 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 240 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 241 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 242 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 243 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 244 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 245 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 246 |
+
#
|
| 247 |
+
_struct.entry_id 1BZ3
|
| 248 |
+
_struct.title
|
| 249 |
+
'STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS,3 BY AN A+C BASE PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE'
|
| 250 |
+
_struct.pdbx_model_details ?
|
| 251 |
+
_struct.pdbx_CASP_flag ?
|
| 252 |
+
_struct.pdbx_model_type_details ?
|
| 253 |
+
#
|
| 254 |
+
_struct_keywords.entry_id 1BZ3
|
| 255 |
+
_struct_keywords.pdbx_keywords RNA
|
| 256 |
+
_struct_keywords.text 'TRNA, PSEUDOURIDINE, ANTICODON, RNA'
|
| 257 |
+
#
|
| 258 |
+
_struct_asym.id A
|
| 259 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag N
|
| 260 |
+
_struct_asym.pdbx_modified N
|
| 261 |
+
_struct_asym.entity_id 1
|
| 262 |
+
_struct_asym.details ?
|
| 263 |
+
#
|
| 264 |
+
_struct_ref.id 1
|
| 265 |
+
_struct_ref.entity_id 1
|
| 266 |
+
_struct_ref.db_name PDB
|
| 267 |
+
_struct_ref.db_code 1BZ3
|
| 268 |
+
_struct_ref.pdbx_db_accession 1BZ3
|
| 269 |
+
_struct_ref.pdbx_db_isoform ?
|
| 270 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 271 |
+
_struct_ref.pdbx_align_begin ?
|
| 272 |
+
#
|
| 273 |
+
_struct_ref_seq.align_id 1
|
| 274 |
+
_struct_ref_seq.ref_id 1
|
| 275 |
+
_struct_ref_seq.pdbx_PDB_id_code 1BZ3
|
| 276 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 277 |
+
_struct_ref_seq.seq_align_beg 1
|
| 278 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 279 |
+
_struct_ref_seq.seq_align_end 17
|
| 280 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 281 |
+
_struct_ref_seq.pdbx_db_accession 1BZ3
|
| 282 |
+
_struct_ref_seq.db_align_beg 27
|
| 283 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 284 |
+
_struct_ref_seq.db_align_end 43
|
| 285 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 286 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 27
|
| 287 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 43
|
| 288 |
+
#
|
| 289 |
+
_pdbx_struct_assembly.id 1
|
| 290 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 291 |
+
_pdbx_struct_assembly.method_details ?
|
| 292 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 293 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 294 |
+
#
|
| 295 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 296 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 297 |
+
_pdbx_struct_assembly_gen.asym_id_list A
|
| 298 |
+
#
|
| 299 |
+
_pdbx_struct_oper_list.id 1
|
| 300 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 301 |
+
_pdbx_struct_oper_list.name 1_555
|
| 302 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 303 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 304 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 305 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 306 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 307 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 308 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 309 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 310 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 311 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 312 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 313 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 314 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 315 |
+
#
|
| 316 |
+
_struct_biol.id 1
|
| 317 |
+
#
|
| 318 |
+
loop_
|
| 319 |
+
_struct_conn.id
|
| 320 |
+
_struct_conn.conn_type_id
|
| 321 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 322 |
+
_struct_conn.pdbx_PDB_id
|
| 323 |
+
_struct_conn.ptnr1_label_asym_id
|
| 324 |
+
_struct_conn.ptnr1_label_comp_id
|
| 325 |
+
_struct_conn.ptnr1_label_seq_id
|
| 326 |
+
_struct_conn.ptnr1_label_atom_id
|
| 327 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 328 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 329 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 330 |
+
_struct_conn.ptnr1_symmetry
|
| 331 |
+
_struct_conn.ptnr2_label_asym_id
|
| 332 |
+
_struct_conn.ptnr2_label_comp_id
|
| 333 |
+
_struct_conn.ptnr2_label_seq_id
|
| 334 |
+
_struct_conn.ptnr2_label_atom_id
|
| 335 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 336 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 337 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 338 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 339 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 340 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 341 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 342 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 343 |
+
_struct_conn.ptnr2_symmetry
|
| 344 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 345 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 346 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 347 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 348 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 349 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 350 |
+
_struct_conn.details
|
| 351 |
+
_struct_conn.pdbx_dist_value
|
| 352 |
+
_struct_conn.pdbx_value_order
|
| 353 |
+
_struct_conn.pdbx_role
|
| 354 |
+
hydrog1 hydrog ? ? A U 1 N3 ? ? ? 1_555 A A 17 N1 ? ? A U 27 A A 43 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 355 |
+
hydrog2 hydrog ? ? A U 1 O4 ? ? ? 1_555 A A 17 N6 ? ? A U 27 A A 43 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 356 |
+
hydrog3 hydrog ? ? A C 2 N3 ? ? ? 1_555 A G 16 N1 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 357 |
+
hydrog4 hydrog ? ? A C 2 N4 ? ? ? 1_555 A G 16 O6 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 358 |
+
hydrog5 hydrog ? ? A C 2 O2 ? ? ? 1_555 A G 16 N2 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 359 |
+
hydrog6 hydrog ? ? A A 3 N1 ? ? ? 1_555 A U 15 N3 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 360 |
+
hydrog7 hydrog ? ? A A 3 N6 ? ? ? 1_555 A U 15 O4 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 361 |
+
hydrog8 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 14 N3 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 362 |
+
hydrog9 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 14 O2 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 363 |
+
hydrog10 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 14 N4 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 364 |
+
hydrog11 hydrog ? ? A A 5 N1 ? ? ? 1_555 A U 13 N3 ? ? A A 31 A U 39 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 365 |
+
hydrog12 hydrog ? ? A A 5 N6 ? ? ? 1_555 A U 13 O4 ? ? A A 31 A U 39 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 366 |
+
hydrog13 hydrog ? ? A C 6 N3 ? ? ? 1_555 A A 12 N6 ? ? A C 32 A A 38 1_555 ? ? ? ? ? ? 'C-A MISPAIR' ? ? ?
|
| 367 |
+
hydrog14 hydrog ? ? A U 7 N3 ? ? ? 1_555 A A 11 N1 ? ? A U 33 A A 37 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 368 |
+
hydrog15 hydrog ? ? A U 7 O4 ? ? ? 1_555 A A 11 N6 ? ? A U 33 A A 37 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 369 |
+
#
|
| 370 |
+
_struct_conn_type.id hydrog
|
| 371 |
+
_struct_conn_type.criteria ?
|
| 372 |
+
_struct_conn_type.reference ?
|
| 373 |
+
#
|
| 374 |
+
_pdbx_validate_close_contact.id 1
|
| 375 |
+
_pdbx_validate_close_contact.PDB_model_num 1
|
| 376 |
+
_pdbx_validate_close_contact.auth_atom_id_1 "HO2'"
|
| 377 |
+
_pdbx_validate_close_contact.auth_asym_id_1 A
|
| 378 |
+
_pdbx_validate_close_contact.auth_comp_id_1 U
|
| 379 |
+
_pdbx_validate_close_contact.auth_seq_id_1 35
|
| 380 |
+
_pdbx_validate_close_contact.PDB_ins_code_1 ?
|
| 381 |
+
_pdbx_validate_close_contact.label_alt_id_1 ?
|
| 382 |
+
_pdbx_validate_close_contact.auth_atom_id_2 OP2
|
| 383 |
+
_pdbx_validate_close_contact.auth_asym_id_2 A
|
| 384 |
+
_pdbx_validate_close_contact.auth_comp_id_2 U
|
| 385 |
+
_pdbx_validate_close_contact.auth_seq_id_2 36
|
| 386 |
+
_pdbx_validate_close_contact.PDB_ins_code_2 ?
|
| 387 |
+
_pdbx_validate_close_contact.label_alt_id_2 ?
|
| 388 |
+
_pdbx_validate_close_contact.dist 1.55
|
| 389 |
+
#
|
| 390 |
+
loop_
|
| 391 |
+
_pdbx_validate_rmsd_angle.id
|
| 392 |
+
_pdbx_validate_rmsd_angle.PDB_model_num
|
| 393 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1
|
| 394 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1
|
| 395 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1
|
| 396 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1
|
| 397 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
| 398 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1
|
| 399 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2
|
| 400 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2
|
| 401 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2
|
| 402 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2
|
| 403 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
| 404 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2
|
| 405 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3
|
| 406 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3
|
| 407 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3
|
| 408 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3
|
| 409 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
| 410 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3
|
| 411 |
+
_pdbx_validate_rmsd_angle.angle_value
|
| 412 |
+
_pdbx_validate_rmsd_angle.angle_target_value
|
| 413 |
+
_pdbx_validate_rmsd_angle.angle_deviation
|
| 414 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation
|
| 415 |
+
_pdbx_validate_rmsd_angle.linker_flag
|
| 416 |
+
1 1 "O4'" A U 27 ? ? "C1'" A U 27 ? ? N1 A U 27 ? ? 113.23 108.50 4.73 0.70 N
|
| 417 |
+
2 1 "O4'" A U 34 ? ? "C1'" A U 34 ? ? N1 A U 34 ? ? 102.50 108.20 -5.70 0.80 N
|
| 418 |
+
3 1 "O4'" A U 36 ? ? "C1'" A U 36 ? ? N1 A U 36 ? ? 113.75 108.50 5.25 0.70 N
|
| 419 |
+
4 1 "O5'" A A 37 ? ? "C5'" A A 37 ? ? "C4'" A A 37 ? ? 100.49 109.40 -8.91 0.80 N
|
| 420 |
+
5 1 "C3'" A A 37 ? ? "C2'" A A 37 ? ? "C1'" A A 37 ? ? 108.27 101.50 6.77 0.80 N
|
| 421 |
+
6 1 N9 A A 37 ? ? "C1'" A A 37 ? ? "C2'" A A 37 ? ? 105.23 112.00 -6.77 1.10 N
|
| 422 |
+
7 1 "O4'" A A 37 ? ? "C1'" A A 37 ? ? N9 A A 37 ? ? 114.01 108.50 5.51 0.70 N
|
| 423 |
+
8 1 "O4'" A A 38 ? ? "C1'" A A 38 ? ? N9 A A 38 ? ? 113.41 108.50 4.91 0.70 N
|
| 424 |
+
9 1 C8 A A 38 ? ? N9 A A 38 ? ? C4 A A 38 ? ? 108.66 105.80 2.86 0.40 N
|
| 425 |
+
10 1 "O4'" A U 39 ? ? "C1'" A U 39 ? ? N1 A U 39 ? ? 112.91 108.50 4.41 0.70 N
|
| 426 |
+
#
|
| 427 |
+
_pdbx_validate_planes.id 1
|
| 428 |
+
_pdbx_validate_planes.PDB_model_num 1
|
| 429 |
+
_pdbx_validate_planes.auth_comp_id C
|
| 430 |
+
_pdbx_validate_planes.auth_asym_id A
|
| 431 |
+
_pdbx_validate_planes.auth_seq_id 32
|
| 432 |
+
_pdbx_validate_planes.PDB_ins_code ?
|
| 433 |
+
_pdbx_validate_planes.label_alt_id ?
|
| 434 |
+
_pdbx_validate_planes.rmsd 0.058
|
| 435 |
+
_pdbx_validate_planes.type 'SIDE CHAIN'
|
| 436 |
+
#
|
| 437 |
+
_pdbx_nmr_ensemble.entry_id 1BZ3
|
| 438 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number 60
|
| 439 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 440 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria 'LEAST RESTRAINT VIOLATION'
|
| 441 |
+
#
|
| 442 |
+
_pdbx_nmr_sample_details.solution_id 1
|
| 443 |
+
_pdbx_nmr_sample_details.contents H2O/D2O
|
| 444 |
+
#
|
| 445 |
+
_pdbx_nmr_exptl_sample_conditions.conditions_id 1
|
| 446 |
+
_pdbx_nmr_exptl_sample_conditions.temperature 303
|
| 447 |
+
_pdbx_nmr_exptl_sample_conditions.pressure ?
|
| 448 |
+
_pdbx_nmr_exptl_sample_conditions.pH 5
|
| 449 |
+
_pdbx_nmr_exptl_sample_conditions.ionic_strength '100 mM NACL'
|
| 450 |
+
_pdbx_nmr_exptl_sample_conditions.pressure_units .
|
| 451 |
+
_pdbx_nmr_exptl_sample_conditions.temperature_units K
|
| 452 |
+
#
|
| 453 |
+
loop_
|
| 454 |
+
_pdbx_nmr_exptl.experiment_id
|
| 455 |
+
_pdbx_nmr_exptl.conditions_id
|
| 456 |
+
_pdbx_nmr_exptl.type
|
| 457 |
+
_pdbx_nmr_exptl.solution_id
|
| 458 |
+
1 1 NOESY 1
|
| 459 |
+
2 1 ROESY 1
|
| 460 |
+
3 1 TOCSY 1
|
| 461 |
+
4 1 HMQC 1
|
| 462 |
+
5 1 '1H-31P COSY' 1
|
| 463 |
+
6 1 '1H-31P HETERO-TOCSY-TOCSY' 1
|
| 464 |
+
7 1 DQCOSY 1
|
| 465 |
+
#
|
| 466 |
+
_pdbx_nmr_details.entry_id 1BZ3
|
| 467 |
+
_pdbx_nmr_details.text
|
| 468 |
+
;LOWEST RMSD DIFFERENCE FROM AVERAGE STRUCTURE. STRUCTURE WAS DETERMINED USING RESTRAINTS FROM HOMONUCLEAR ROESY, DQCOSY AND NOESY DATA. ASSIGNMENTS WERE MADE WITH A COMBINATION OF ROESY, NOESY, TOCSY, 1H-13C HMQC AND 1H-31P.
|
| 469 |
+
;
|
| 470 |
+
#
|
| 471 |
+
_pdbx_nmr_refine.entry_id 1BZ3
|
| 472 |
+
_pdbx_nmr_refine.method 'molecular dynamics'
|
| 473 |
+
_pdbx_nmr_refine.details 'AMBER FORCEFIELD'
|
| 474 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 475 |
+
#
|
| 476 |
+
loop_
|
| 477 |
+
_pdbx_nmr_software.classification
|
| 478 |
+
_pdbx_nmr_software.name
|
| 479 |
+
_pdbx_nmr_software.version
|
| 480 |
+
_pdbx_nmr_software.authors
|
| 481 |
+
_pdbx_nmr_software.ordinal
|
| 482 |
+
refinement Discover 95 MSI 1
|
| 483 |
+
'structure solution' VNMR ? ? 2
|
| 484 |
+
'structure solution' Felix ? ? 3
|
| 485 |
+
'structure solution' Discover ? ? 4
|
| 486 |
+
#
|
| 487 |
+
loop_
|
| 488 |
+
_chem_comp_atom.comp_id
|
| 489 |
+
_chem_comp_atom.atom_id
|
| 490 |
+
_chem_comp_atom.type_symbol
|
| 491 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 492 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 493 |
+
_chem_comp_atom.pdbx_ordinal
|
| 494 |
+
A OP3 O N N 1
|
| 495 |
+
A P P N N 2
|
| 496 |
+
A OP1 O N N 3
|
| 497 |
+
A OP2 O N N 4
|
| 498 |
+
A "O5'" O N N 5
|
| 499 |
+
A "C5'" C N N 6
|
| 500 |
+
A "C4'" C N R 7
|
| 501 |
+
A "O4'" O N N 8
|
| 502 |
+
A "C3'" C N S 9
|
| 503 |
+
A "O3'" O N N 10
|
| 504 |
+
A "C2'" C N R 11
|
| 505 |
+
A "O2'" O N N 12
|
| 506 |
+
A "C1'" C N R 13
|
| 507 |
+
A N9 N Y N 14
|
| 508 |
+
A C8 C Y N 15
|
| 509 |
+
A N7 N Y N 16
|
| 510 |
+
A C5 C Y N 17
|
| 511 |
+
A C6 C Y N 18
|
| 512 |
+
A N6 N N N 19
|
| 513 |
+
A N1 N Y N 20
|
| 514 |
+
A C2 C Y N 21
|
| 515 |
+
A N3 N Y N 22
|
| 516 |
+
A C4 C Y N 23
|
| 517 |
+
A HOP3 H N N 24
|
| 518 |
+
A HOP2 H N N 25
|
| 519 |
+
A "H5'" H N N 26
|
| 520 |
+
A "H5''" H N N 27
|
| 521 |
+
A "H4'" H N N 28
|
| 522 |
+
A "H3'" H N N 29
|
| 523 |
+
A "HO3'" H N N 30
|
| 524 |
+
A "H2'" H N N 31
|
| 525 |
+
A "HO2'" H N N 32
|
| 526 |
+
A "H1'" H N N 33
|
| 527 |
+
A H8 H N N 34
|
| 528 |
+
A H61 H N N 35
|
| 529 |
+
A H62 H N N 36
|
| 530 |
+
A H2 H N N 37
|
| 531 |
+
C OP3 O N N 38
|
| 532 |
+
C P P N N 39
|
| 533 |
+
C OP1 O N N 40
|
| 534 |
+
C OP2 O N N 41
|
| 535 |
+
C "O5'" O N N 42
|
| 536 |
+
C "C5'" C N N 43
|
| 537 |
+
C "C4'" C N R 44
|
| 538 |
+
C "O4'" O N N 45
|
| 539 |
+
C "C3'" C N S 46
|
| 540 |
+
C "O3'" O N N 47
|
| 541 |
+
C "C2'" C N R 48
|
| 542 |
+
C "O2'" O N N 49
|
| 543 |
+
C "C1'" C N R 50
|
| 544 |
+
C N1 N N N 51
|
| 545 |
+
C C2 C N N 52
|
| 546 |
+
C O2 O N N 53
|
| 547 |
+
C N3 N N N 54
|
| 548 |
+
C C4 C N N 55
|
| 549 |
+
C N4 N N N 56
|
| 550 |
+
C C5 C N N 57
|
| 551 |
+
C C6 C N N 58
|
| 552 |
+
C HOP3 H N N 59
|
| 553 |
+
C HOP2 H N N 60
|
| 554 |
+
C "H5'" H N N 61
|
| 555 |
+
C "H5''" H N N 62
|
| 556 |
+
C "H4'" H N N 63
|
| 557 |
+
C "H3'" H N N 64
|
| 558 |
+
C "HO3'" H N N 65
|
| 559 |
+
C "H2'" H N N 66
|
| 560 |
+
C "HO2'" H N N 67
|
| 561 |
+
C "H1'" H N N 68
|
| 562 |
+
C H41 H N N 69
|
| 563 |
+
C H42 H N N 70
|
| 564 |
+
C H5 H N N 71
|
| 565 |
+
C H6 H N N 72
|
| 566 |
+
G OP3 O N N 73
|
| 567 |
+
G P P N N 74
|
| 568 |
+
G OP1 O N N 75
|
| 569 |
+
G OP2 O N N 76
|
| 570 |
+
G "O5'" O N N 77
|
| 571 |
+
G "C5'" C N N 78
|
| 572 |
+
G "C4'" C N R 79
|
| 573 |
+
G "O4'" O N N 80
|
| 574 |
+
G "C3'" C N S 81
|
| 575 |
+
G "O3'" O N N 82
|
| 576 |
+
G "C2'" C N R 83
|
| 577 |
+
G "O2'" O N N 84
|
| 578 |
+
G "C1'" C N R 85
|
| 579 |
+
G N9 N Y N 86
|
| 580 |
+
G C8 C Y N 87
|
| 581 |
+
G N7 N Y N 88
|
| 582 |
+
G C5 C Y N 89
|
| 583 |
+
G C6 C N N 90
|
| 584 |
+
G O6 O N N 91
|
| 585 |
+
G N1 N N N 92
|
| 586 |
+
G C2 C N N 93
|
| 587 |
+
G N2 N N N 94
|
| 588 |
+
G N3 N N N 95
|
| 589 |
+
G C4 C Y N 96
|
| 590 |
+
G HOP3 H N N 97
|
| 591 |
+
G HOP2 H N N 98
|
| 592 |
+
G "H5'" H N N 99
|
| 593 |
+
G "H5''" H N N 100
|
| 594 |
+
G "H4'" H N N 101
|
| 595 |
+
G "H3'" H N N 102
|
| 596 |
+
G "HO3'" H N N 103
|
| 597 |
+
G "H2'" H N N 104
|
| 598 |
+
G "HO2'" H N N 105
|
| 599 |
+
G "H1'" H N N 106
|
| 600 |
+
G H8 H N N 107
|
| 601 |
+
G H1 H N N 108
|
| 602 |
+
G H21 H N N 109
|
| 603 |
+
G H22 H N N 110
|
| 604 |
+
U OP3 O N N 111
|
| 605 |
+
U P P N N 112
|
| 606 |
+
U OP1 O N N 113
|
| 607 |
+
U OP2 O N N 114
|
| 608 |
+
U "O5'" O N N 115
|
| 609 |
+
U "C5'" C N N 116
|
| 610 |
+
U "C4'" C N R 117
|
| 611 |
+
U "O4'" O N N 118
|
| 612 |
+
U "C3'" C N S 119
|
| 613 |
+
U "O3'" O N N 120
|
| 614 |
+
U "C2'" C N R 121
|
| 615 |
+
U "O2'" O N N 122
|
| 616 |
+
U "C1'" C N R 123
|
| 617 |
+
U N1 N N N 124
|
| 618 |
+
U C2 C N N 125
|
| 619 |
+
U O2 O N N 126
|
| 620 |
+
U N3 N N N 127
|
| 621 |
+
U C4 C N N 128
|
| 622 |
+
U O4 O N N 129
|
| 623 |
+
U C5 C N N 130
|
| 624 |
+
U C6 C N N 131
|
| 625 |
+
U HOP3 H N N 132
|
| 626 |
+
U HOP2 H N N 133
|
| 627 |
+
U "H5'" H N N 134
|
| 628 |
+
U "H5''" H N N 135
|
| 629 |
+
U "H4'" H N N 136
|
| 630 |
+
U "H3'" H N N 137
|
| 631 |
+
U "HO3'" H N N 138
|
| 632 |
+
U "H2'" H N N 139
|
| 633 |
+
U "HO2'" H N N 140
|
| 634 |
+
U "H1'" H N N 141
|
| 635 |
+
U H3 H N N 142
|
| 636 |
+
U H5 H N N 143
|
| 637 |
+
U H6 H N N 144
|
| 638 |
+
#
|
| 639 |
+
loop_
|
| 640 |
+
_chem_comp_bond.comp_id
|
| 641 |
+
_chem_comp_bond.atom_id_1
|
| 642 |
+
_chem_comp_bond.atom_id_2
|
| 643 |
+
_chem_comp_bond.value_order
|
| 644 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 645 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 646 |
+
_chem_comp_bond.pdbx_ordinal
|
| 647 |
+
A OP3 P sing N N 1
|
| 648 |
+
A OP3 HOP3 sing N N 2
|
| 649 |
+
A P OP1 doub N N 3
|
| 650 |
+
A P OP2 sing N N 4
|
| 651 |
+
A P "O5'" sing N N 5
|
| 652 |
+
A OP2 HOP2 sing N N 6
|
| 653 |
+
A "O5'" "C5'" sing N N 7
|
| 654 |
+
A "C5'" "C4'" sing N N 8
|
| 655 |
+
A "C5'" "H5'" sing N N 9
|
| 656 |
+
A "C5'" "H5''" sing N N 10
|
| 657 |
+
A "C4'" "O4'" sing N N 11
|
| 658 |
+
A "C4'" "C3'" sing N N 12
|
| 659 |
+
A "C4'" "H4'" sing N N 13
|
| 660 |
+
A "O4'" "C1'" sing N N 14
|
| 661 |
+
A "C3'" "O3'" sing N N 15
|
| 662 |
+
A "C3'" "C2'" sing N N 16
|
| 663 |
+
A "C3'" "H3'" sing N N 17
|
| 664 |
+
A "O3'" "HO3'" sing N N 18
|
| 665 |
+
A "C2'" "O2'" sing N N 19
|
| 666 |
+
A "C2'" "C1'" sing N N 20
|
| 667 |
+
A "C2'" "H2'" sing N N 21
|
| 668 |
+
A "O2'" "HO2'" sing N N 22
|
| 669 |
+
A "C1'" N9 sing N N 23
|
| 670 |
+
A "C1'" "H1'" sing N N 24
|
| 671 |
+
A N9 C8 sing Y N 25
|
| 672 |
+
A N9 C4 sing Y N 26
|
| 673 |
+
A C8 N7 doub Y N 27
|
| 674 |
+
A C8 H8 sing N N 28
|
| 675 |
+
A N7 C5 sing Y N 29
|
| 676 |
+
A C5 C6 sing Y N 30
|
| 677 |
+
A C5 C4 doub Y N 31
|
| 678 |
+
A C6 N6 sing N N 32
|
| 679 |
+
A C6 N1 doub Y N 33
|
| 680 |
+
A N6 H61 sing N N 34
|
| 681 |
+
A N6 H62 sing N N 35
|
| 682 |
+
A N1 C2 sing Y N 36
|
| 683 |
+
A C2 N3 doub Y N 37
|
| 684 |
+
A C2 H2 sing N N 38
|
| 685 |
+
A N3 C4 sing Y N 39
|
| 686 |
+
C OP3 P sing N N 40
|
| 687 |
+
C OP3 HOP3 sing N N 41
|
| 688 |
+
C P OP1 doub N N 42
|
| 689 |
+
C P OP2 sing N N 43
|
| 690 |
+
C P "O5'" sing N N 44
|
| 691 |
+
C OP2 HOP2 sing N N 45
|
| 692 |
+
C "O5'" "C5'" sing N N 46
|
| 693 |
+
C "C5'" "C4'" sing N N 47
|
| 694 |
+
C "C5'" "H5'" sing N N 48
|
| 695 |
+
C "C5'" "H5''" sing N N 49
|
| 696 |
+
C "C4'" "O4'" sing N N 50
|
| 697 |
+
C "C4'" "C3'" sing N N 51
|
| 698 |
+
C "C4'" "H4'" sing N N 52
|
| 699 |
+
C "O4'" "C1'" sing N N 53
|
| 700 |
+
C "C3'" "O3'" sing N N 54
|
| 701 |
+
C "C3'" "C2'" sing N N 55
|
| 702 |
+
C "C3'" "H3'" sing N N 56
|
| 703 |
+
C "O3'" "HO3'" sing N N 57
|
| 704 |
+
C "C2'" "O2'" sing N N 58
|
| 705 |
+
C "C2'" "C1'" sing N N 59
|
| 706 |
+
C "C2'" "H2'" sing N N 60
|
| 707 |
+
C "O2'" "HO2'" sing N N 61
|
| 708 |
+
C "C1'" N1 sing N N 62
|
| 709 |
+
C "C1'" "H1'" sing N N 63
|
| 710 |
+
C N1 C2 sing N N 64
|
| 711 |
+
C N1 C6 sing N N 65
|
| 712 |
+
C C2 O2 doub N N 66
|
| 713 |
+
C C2 N3 sing N N 67
|
| 714 |
+
C N3 C4 doub N N 68
|
| 715 |
+
C C4 N4 sing N N 69
|
| 716 |
+
C C4 C5 sing N N 70
|
| 717 |
+
C N4 H41 sing N N 71
|
| 718 |
+
C N4 H42 sing N N 72
|
| 719 |
+
C C5 C6 doub N N 73
|
| 720 |
+
C C5 H5 sing N N 74
|
| 721 |
+
C C6 H6 sing N N 75
|
| 722 |
+
G OP3 P sing N N 76
|
| 723 |
+
G OP3 HOP3 sing N N 77
|
| 724 |
+
G P OP1 doub N N 78
|
| 725 |
+
G P OP2 sing N N 79
|
| 726 |
+
G P "O5'" sing N N 80
|
| 727 |
+
G OP2 HOP2 sing N N 81
|
| 728 |
+
G "O5'" "C5'" sing N N 82
|
| 729 |
+
G "C5'" "C4'" sing N N 83
|
| 730 |
+
G "C5'" "H5'" sing N N 84
|
| 731 |
+
G "C5'" "H5''" sing N N 85
|
| 732 |
+
G "C4'" "O4'" sing N N 86
|
| 733 |
+
G "C4'" "C3'" sing N N 87
|
| 734 |
+
G "C4'" "H4'" sing N N 88
|
| 735 |
+
G "O4'" "C1'" sing N N 89
|
| 736 |
+
G "C3'" "O3'" sing N N 90
|
| 737 |
+
G "C3'" "C2'" sing N N 91
|
| 738 |
+
G "C3'" "H3'" sing N N 92
|
| 739 |
+
G "O3'" "HO3'" sing N N 93
|
| 740 |
+
G "C2'" "O2'" sing N N 94
|
| 741 |
+
G "C2'" "C1'" sing N N 95
|
| 742 |
+
G "C2'" "H2'" sing N N 96
|
| 743 |
+
G "O2'" "HO2'" sing N N 97
|
| 744 |
+
G "C1'" N9 sing N N 98
|
| 745 |
+
G "C1'" "H1'" sing N N 99
|
| 746 |
+
G N9 C8 sing Y N 100
|
| 747 |
+
G N9 C4 sing Y N 101
|
| 748 |
+
G C8 N7 doub Y N 102
|
| 749 |
+
G C8 H8 sing N N 103
|
| 750 |
+
G N7 C5 sing Y N 104
|
| 751 |
+
G C5 C6 sing N N 105
|
| 752 |
+
G C5 C4 doub Y N 106
|
| 753 |
+
G C6 O6 doub N N 107
|
| 754 |
+
G C6 N1 sing N N 108
|
| 755 |
+
G N1 C2 sing N N 109
|
| 756 |
+
G N1 H1 sing N N 110
|
| 757 |
+
G C2 N2 sing N N 111
|
| 758 |
+
G C2 N3 doub N N 112
|
| 759 |
+
G N2 H21 sing N N 113
|
| 760 |
+
G N2 H22 sing N N 114
|
| 761 |
+
G N3 C4 sing N N 115
|
| 762 |
+
U OP3 P sing N N 116
|
| 763 |
+
U OP3 HOP3 sing N N 117
|
| 764 |
+
U P OP1 doub N N 118
|
| 765 |
+
U P OP2 sing N N 119
|
| 766 |
+
U P "O5'" sing N N 120
|
| 767 |
+
U OP2 HOP2 sing N N 121
|
| 768 |
+
U "O5'" "C5'" sing N N 122
|
| 769 |
+
U "C5'" "C4'" sing N N 123
|
| 770 |
+
U "C5'" "H5'" sing N N 124
|
| 771 |
+
U "C5'" "H5''" sing N N 125
|
| 772 |
+
U "C4'" "O4'" sing N N 126
|
| 773 |
+
U "C4'" "C3'" sing N N 127
|
| 774 |
+
U "C4'" "H4'" sing N N 128
|
| 775 |
+
U "O4'" "C1'" sing N N 129
|
| 776 |
+
U "C3'" "O3'" sing N N 130
|
| 777 |
+
U "C3'" "C2'" sing N N 131
|
| 778 |
+
U "C3'" "H3'" sing N N 132
|
| 779 |
+
U "O3'" "HO3'" sing N N 133
|
| 780 |
+
U "C2'" "O2'" sing N N 134
|
| 781 |
+
U "C2'" "C1'" sing N N 135
|
| 782 |
+
U "C2'" "H2'" sing N N 136
|
| 783 |
+
U "O2'" "HO2'" sing N N 137
|
| 784 |
+
U "C1'" N1 sing N N 138
|
| 785 |
+
U "C1'" "H1'" sing N N 139
|
| 786 |
+
U N1 C2 sing N N 140
|
| 787 |
+
U N1 C6 sing N N 141
|
| 788 |
+
U C2 O2 doub N N 142
|
| 789 |
+
U C2 N3 sing N N 143
|
| 790 |
+
U N3 C4 sing N N 144
|
| 791 |
+
U N3 H3 sing N N 145
|
| 792 |
+
U C4 O4 doub N N 146
|
| 793 |
+
U C4 C5 sing N N 147
|
| 794 |
+
U C5 C6 doub N N 148
|
| 795 |
+
U C5 H5 sing N N 149
|
| 796 |
+
U C6 H6 sing N N 150
|
| 797 |
+
#
|
| 798 |
+
loop_
|
| 799 |
+
_ndb_struct_conf_na.entry_id
|
| 800 |
+
_ndb_struct_conf_na.feature
|
| 801 |
+
1BZ3 'a-form double helix'
|
| 802 |
+
1BZ3 'hairpin loop'
|
| 803 |
+
1BZ3 'mismatched base pair'
|
| 804 |
+
#
|
| 805 |
+
loop_
|
| 806 |
+
_ndb_struct_na_base_pair.model_number
|
| 807 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 808 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 809 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 810 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 811 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 812 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 813 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 814 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 815 |
+
_ndb_struct_na_base_pair.shear
|
| 816 |
+
_ndb_struct_na_base_pair.stretch
|
| 817 |
+
_ndb_struct_na_base_pair.stagger
|
| 818 |
+
_ndb_struct_na_base_pair.buckle
|
| 819 |
+
_ndb_struct_na_base_pair.propeller
|
| 820 |
+
_ndb_struct_na_base_pair.opening
|
| 821 |
+
_ndb_struct_na_base_pair.pair_number
|
| 822 |
+
_ndb_struct_na_base_pair.pair_name
|
| 823 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 824 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 825 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 826 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 827 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 828 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 829 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 830 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 831 |
+
1 A U 1 1_555 A A 17 1_555 -0.901 -0.147 -0.392 -12.464 -11.906 1.008 1 A_U27:A43_A A 27 ? A 43 ? 20 1
|
| 832 |
+
1 A C 2 1_555 A G 16 1_555 0.968 -0.542 0.345 2.411 -16.629 -5.966 2 A_C28:G42_A A 28 ? A 42 ? 19 1
|
| 833 |
+
1 A A 3 1_555 A U 15 1_555 -0.519 -0.620 -1.244 -4.672 5.754 -8.856 3 A_A29:U41_A A 29 ? A 41 ? 20 1
|
| 834 |
+
1 A G 4 1_555 A C 14 1_555 0.601 -0.124 -0.203 -0.897 -21.526 3.087 4 A_G30:C40_A A 30 ? A 40 ? 19 1
|
| 835 |
+
1 A A 5 1_555 A U 13 1_555 -1.083 -0.337 0.425 0.451 -21.434 -1.422 5 A_A31:U39_A A 31 ? A 39 ? 20 1
|
| 836 |
+
1 A C 6 1_555 A A 12 1_555 1.420 -0.552 0.763 3.994 -15.786 0.228 6 A_C32:A38_A A 32 ? A 38 ? ? 1
|
| 837 |
+
1 A U 7 1_555 A A 11 1_555 -0.733 -0.008 0.176 31.339 -27.506 1.262 7 A_U33:A37_A A 33 ? A 37 ? 20 1
|
| 838 |
+
#
|
| 839 |
+
loop_
|
| 840 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 841 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 842 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 843 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 844 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 845 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 846 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 847 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 848 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 849 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 850 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 851 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 852 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 853 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 854 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 855 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 856 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 857 |
+
_ndb_struct_na_base_pair_step.shift
|
| 858 |
+
_ndb_struct_na_base_pair_step.slide
|
| 859 |
+
_ndb_struct_na_base_pair_step.rise
|
| 860 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 861 |
+
_ndb_struct_na_base_pair_step.roll
|
| 862 |
+
_ndb_struct_na_base_pair_step.twist
|
| 863 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 864 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 865 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 866 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 867 |
+
_ndb_struct_na_base_pair_step.tip
|
| 868 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 869 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 870 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 871 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 872 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 873 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 874 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 875 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 876 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 877 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 878 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 879 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 880 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 881 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 882 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 883 |
+
1 A U 1 1_555 A A 17 1_555 A C 2 1_555 A G 16 1_555 -0.294 -1.338 3.091 -2.892 2.565 37.466 -2.384 0.105 3.010 3.980 4.488
|
| 884 |
+
37.657 1 AA_U27C28:G42A43_AA A 27 ? A 43 ? A 28 ? A 42 ?
|
| 885 |
+
1 A C 2 1_555 A G 16 1_555 A A 3 1_555 A U 15 1_555 -0.068 -2.001 4.075 6.154 7.863 20.184 -8.410 2.743 2.950 20.868 -16.332
|
| 886 |
+
22.496 2 AA_C28A29:U41G42_AA A 28 ? A 42 ? A 29 ? A 41 ?
|
| 887 |
+
1 A A 3 1_555 A U 15 1_555 A G 4 1_555 A C 14 1_555 0.707 -1.478 3.584 -2.847 8.419 33.097 -3.881 -1.664 3.057 14.457 4.889
|
| 888 |
+
34.237 3 AA_A29G30:C40U41_AA A 29 ? A 41 ? A 30 ? A 40 ?
|
| 889 |
+
1 A G 4 1_555 A C 14 1_555 A A 5 1_555 A U 13 1_555 -0.187 -2.035 3.338 -5.016 3.351 22.856 -6.069 -1.188 2.984 8.272 12.384
|
| 890 |
+
23.628 4 AA_G30A31:U39C40_AA A 30 ? A 40 ? A 31 ? A 39 ?
|
| 891 |
+
1 A A 5 1_555 A U 13 1_555 A C 6 1_555 A A 12 1_555 -0.011 -1.817 2.892 -2.036 10.509 41.276 -3.371 -0.154 2.379 14.613 2.831
|
| 892 |
+
42.583 5 AA_A31C32:A38U39_AA A 31 ? A 39 ? A 32 ? A 38 ?
|
| 893 |
+
1 A C 6 1_555 A A 12 1_555 A U 7 1_555 A A 11 1_555 0.604 -0.770 2.704 6.886 -11.843 25.967 0.785 0.149 2.847 -24.319 -14.140
|
| 894 |
+
29.305 6 AA_C32U33:A37A38_AA A 32 ? A 38 ? A 33 ? A 37 ?
|
| 895 |
+
#
|
| 896 |
+
_pdbx_nmr_spectrometer.spectrometer_id 1
|
| 897 |
+
_pdbx_nmr_spectrometer.model 'UNITY 500'
|
| 898 |
+
_pdbx_nmr_spectrometer.manufacturer Varian
|
| 899 |
+
_pdbx_nmr_spectrometer.field_strength 500
|
| 900 |
+
#
|
| 901 |
+
_atom_sites.entry_id 1BZ3
|
| 902 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 903 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 904 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 905 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 906 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 907 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 908 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 909 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 910 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 911 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 912 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 913 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 914 |
+
#
|
| 915 |
+
loop_
|
| 916 |
+
_atom_type.symbol
|
| 917 |
+
C
|
| 918 |
+
H
|
| 919 |
+
N
|
| 920 |
+
O
|
| 921 |
+
P
|
| 922 |
+
#
|
| 923 |
+
loop_
|
| 924 |
+
_atom_site.group_PDB
|
| 925 |
+
_atom_site.id
|
| 926 |
+
_atom_site.type_symbol
|
| 927 |
+
_atom_site.label_atom_id
|
| 928 |
+
_atom_site.label_alt_id
|
| 929 |
+
_atom_site.label_comp_id
|
| 930 |
+
_atom_site.label_asym_id
|
| 931 |
+
_atom_site.label_entity_id
|
| 932 |
+
_atom_site.label_seq_id
|
| 933 |
+
_atom_site.pdbx_PDB_ins_code
|
| 934 |
+
_atom_site.Cartn_x
|
| 935 |
+
_atom_site.Cartn_y
|
| 936 |
+
_atom_site.Cartn_z
|
| 937 |
+
_atom_site.occupancy
|
| 938 |
+
_atom_site.B_iso_or_equiv
|
| 939 |
+
_atom_site.pdbx_formal_charge
|
| 940 |
+
_atom_site.auth_seq_id
|
| 941 |
+
_atom_site.auth_comp_id
|
| 942 |
+
_atom_site.auth_asym_id
|
| 943 |
+
_atom_site.auth_atom_id
|
| 944 |
+
_atom_site.pdbx_PDB_model_num
|
| 945 |
+
ATOM 1 O "O5'" . U A 1 1 ? 6.837 -6.826 -1.526 1.00 0.00 ? 27 U A "O5'" 1
|
| 946 |
+
ATOM 2 C "C5'" . U A 1 1 ? 8.121 -6.704 -2.098 1.00 0.00 ? 27 U A "C5'" 1
|
| 947 |
+
ATOM 3 C "C4'" . U A 1 1 ? 8.517 -5.232 -2.215 1.00 0.00 ? 27 U A "C4'" 1
|
| 948 |
+
ATOM 4 O "O4'" . U A 1 1 ? 7.572 -4.507 -2.980 1.00 0.00 ? 27 U A "O4'" 1
|
| 949 |
+
ATOM 5 C "C3'" . U A 1 1 ? 8.579 -4.505 -0.878 1.00 0.00 ? 27 U A "C3'" 1
|
| 950 |
+
ATOM 6 O "O3'" . U A 1 1 ? 9.750 -4.816 -0.148 1.00 0.00 ? 27 U A "O3'" 1
|
| 951 |
+
ATOM 7 C "C2'" . U A 1 1 ? 8.576 -3.071 -1.384 1.00 0.00 ? 27 U A "C2'" 1
|
| 952 |
+
ATOM 8 O "O2'" . U A 1 1 ? 9.867 -2.719 -1.828 1.00 0.00 ? 27 U A "O2'" 1
|
| 953 |
+
ATOM 9 C "C1'" . U A 1 1 ? 7.650 -3.142 -2.597 1.00 0.00 ? 27 U A "C1'" 1
|
| 954 |
+
ATOM 10 N N1 . U A 1 1 ? 6.328 -2.552 -2.255 1.00 0.00 ? 27 U A N1 1
|
| 955 |
+
ATOM 11 C C2 . U A 1 1 ? 6.252 -1.166 -2.215 1.00 0.00 ? 27 U A C2 1
|
| 956 |
+
ATOM 12 O O2 . U A 1 1 ? 7.223 -0.442 -2.423 1.00 0.00 ? 27 U A O2 1
|
| 957 |
+
ATOM 13 N N3 . U A 1 1 ? 5.012 -0.622 -1.917 1.00 0.00 ? 27 U A N3 1
|
| 958 |
+
ATOM 14 C C4 . U A 1 1 ? 3.858 -1.330 -1.628 1.00 0.00 ? 27 U A C4 1
|
| 959 |
+
ATOM 15 O O4 . U A 1 1 ? 2.806 -0.744 -1.384 1.00 0.00 ? 27 U A O4 1
|
| 960 |
+
ATOM 16 C C5 . U A 1 1 ? 4.037 -2.762 -1.641 1.00 0.00 ? 27 U A C5 1
|
| 961 |
+
ATOM 17 C C6 . U A 1 1 ? 5.231 -3.318 -1.945 1.00 0.00 ? 27 U A C6 1
|
| 962 |
+
ATOM 18 H "H5'" . U A 1 1 ? 8.114 -7.153 -3.090 1.00 0.00 ? 27 U A "H5'" 1
|
| 963 |
+
ATOM 19 H "H5''" . U A 1 1 ? 8.847 -7.223 -1.472 1.00 0.00 ? 27 U A "H5''" 1
|
| 964 |
+
ATOM 20 H "H4'" . U A 1 1 ? 9.490 -5.158 -2.700 1.00 0.00 ? 27 U A "H4'" 1
|
| 965 |
+
ATOM 21 H "H3'" . U A 1 1 ? 7.679 -4.697 -0.297 1.00 0.00 ? 27 U A "H3'" 1
|
| 966 |
+
ATOM 22 H "H2'" . U A 1 1 ? 8.216 -2.369 -0.636 1.00 0.00 ? 27 U A "H2'" 1
|
| 967 |
+
ATOM 23 H "HO2'" . U A 1 1 ? 9.829 -1.837 -2.206 1.00 0.00 ? 27 U A "HO2'" 1
|
| 968 |
+
ATOM 24 H "H1'" . U A 1 1 ? 8.104 -2.592 -3.422 1.00 0.00 ? 27 U A "H1'" 1
|
| 969 |
+
ATOM 25 H H3 . U A 1 1 ? 4.946 0.386 -1.902 1.00 0.00 ? 27 U A H3 1
|
| 970 |
+
ATOM 26 H H5 . U A 1 1 ? 3.200 -3.403 -1.405 1.00 0.00 ? 27 U A H5 1
|
| 971 |
+
ATOM 27 H H6 . U A 1 1 ? 5.288 -4.395 -1.922 1.00 0.00 ? 27 U A H6 1
|
| 972 |
+
ATOM 28 H "HO5'" . U A 1 1 ? 6.617 -7.759 -1.468 1.00 0.00 ? 27 U A "HO5'" 1
|
| 973 |
+
ATOM 29 P P . C A 1 2 ? 9.858 -4.508 1.435 1.00 0.00 ? 28 C A P 1
|
| 974 |
+
ATOM 30 O OP1 . C A 1 2 ? 11.177 -4.987 1.904 1.00 0.00 ? 28 C A OP1 1
|
| 975 |
+
ATOM 31 O OP2 . C A 1 2 ? 8.626 -5.011 2.082 1.00 0.00 ? 28 C A OP2 1
|
| 976 |
+
ATOM 32 O "O5'" . C A 1 2 ? 9.852 -2.901 1.535 1.00 0.00 ? 28 C A "O5'" 1
|
| 977 |
+
ATOM 33 C "C5'" . C A 1 2 ? 11.014 -2.152 1.260 1.00 0.00 ? 28 C A "C5'" 1
|
| 978 |
+
ATOM 34 C "C4'" . C A 1 2 ? 10.677 -0.663 1.279 1.00 0.00 ? 28 C A "C4'" 1
|
| 979 |
+
ATOM 35 O "O4'" . C A 1 2 ? 9.537 -0.406 0.486 1.00 0.00 ? 28 C A "O4'" 1
|
| 980 |
+
ATOM 36 C "C3'" . C A 1 2 ? 10.318 -0.124 2.659 1.00 0.00 ? 28 C A "C3'" 1
|
| 981 |
+
ATOM 37 O "O3'" . C A 1 2 ? 11.449 0.074 3.483 1.00 0.00 ? 28 C A "O3'" 1
|
| 982 |
+
ATOM 38 C "C2'" . C A 1 2 ? 9.661 1.182 2.243 1.00 0.00 ? 28 C A "C2'" 1
|
| 983 |
+
ATOM 39 O "O2'" . C A 1 2 ? 10.630 2.152 1.910 1.00 0.00 ? 28 C A "O2'" 1
|
| 984 |
+
ATOM 40 C "C1'" . C A 1 2 ? 8.912 0.768 0.977 1.00 0.00 ? 28 C A "C1'" 1
|
| 985 |
+
ATOM 41 N N1 . C A 1 2 ? 7.473 0.546 1.296 1.00 0.00 ? 28 C A N1 1
|
| 986 |
+
ATOM 42 C C2 . C A 1 2 ? 6.640 1.659 1.325 1.00 0.00 ? 28 C A C2 1
|
| 987 |
+
ATOM 43 O O2 . C A 1 2 ? 7.082 2.786 1.110 1.00 0.00 ? 28 C A O2 1
|
| 988 |
+
ATOM 44 N N3 . C A 1 2 ? 5.323 1.474 1.603 1.00 0.00 ? 28 C A N3 1
|
| 989 |
+
ATOM 45 C C4 . C A 1 2 ? 4.829 0.262 1.875 1.00 0.00 ? 28 C A C4 1
|
| 990 |
+
ATOM 46 N N4 . C A 1 2 ? 3.522 0.134 2.142 1.00 0.00 ? 28 C A N4 1
|
| 991 |
+
ATOM 47 C C5 . C A 1 2 ? 5.678 -0.886 1.911 1.00 0.00 ? 28 C A C5 1
|
| 992 |
+
ATOM 48 C C6 . C A 1 2 ? 6.981 -0.694 1.618 1.00 0.00 ? 28 C A C6 1
|
| 993 |
+
ATOM 49 H "H5'" . C A 1 2 ? 11.390 -2.421 0.273 1.00 0.00 ? 28 C A "H5'" 1
|
| 994 |
+
ATOM 50 H "H5''" . C A 1 2 ? 11.780 -2.367 2.005 1.00 0.00 ? 28 C A "H5''" 1
|
| 995 |
+
ATOM 51 H "H4'" . C A 1 2 ? 11.511 -0.090 0.879 1.00 0.00 ? 28 C A "H4'" 1
|
| 996 |
+
ATOM 52 H "H3'" . C A 1 2 ? 9.584 -0.767 3.143 1.00 0.00 ? 28 C A "H3'" 1
|
| 997 |
+
ATOM 53 H "H2'" . C A 1 2 ? 8.993 1.569 3.006 1.00 0.00 ? 28 C A "H2'" 1
|
| 998 |
+
ATOM 54 H "HO2'" . C A 1 2 ? 11.070 1.891 1.099 1.00 0.00 ? 28 C A "HO2'" 1
|
| 999 |
+
ATOM 55 H "H1'" . C A 1 2 ? 9.048 1.533 0.215 1.00 0.00 ? 28 C A "H1'" 1
|
| 1000 |
+
ATOM 56 H H41 . C A 1 2 ? 2.921 0.946 2.127 1.00 0.00 ? 28 C A H41 1
|
| 1001 |
+
ATOM 57 H H42 . C A 1 2 ? 3.137 -0.774 2.358 1.00 0.00 ? 28 C A H42 1
|
| 1002 |
+
ATOM 58 H H5 . C A 1 2 ? 5.325 -1.876 2.157 1.00 0.00 ? 28 C A H5 1
|
| 1003 |
+
ATOM 59 H H6 . C A 1 2 ? 7.617 -1.561 1.665 1.00 0.00 ? 28 C A H6 1
|
| 1004 |
+
ATOM 60 P P . A A 1 3 ? 11.300 0.199 5.088 1.00 0.00 ? 29 A A P 1
|
| 1005 |
+
ATOM 61 O OP1 . A A 1 3 ? 12.653 0.374 5.660 1.00 0.00 ? 29 A A OP1 1
|
| 1006 |
+
ATOM 62 O OP2 . A A 1 3 ? 10.446 -0.915 5.560 1.00 0.00 ? 29 A A OP2 1
|
| 1007 |
+
ATOM 63 O "O5'" . A A 1 3 ? 10.491 1.574 5.306 1.00 0.00 ? 29 A A "O5'" 1
|
| 1008 |
+
ATOM 64 C "C5'" . A A 1 3 ? 11.150 2.815 5.200 1.00 0.00 ? 29 A A "C5'" 1
|
| 1009 |
+
ATOM 65 C "C4'" . A A 1 3 ? 10.150 3.954 5.376 1.00 0.00 ? 29 A A "C4'" 1
|
| 1010 |
+
ATOM 66 O "O4'" . A A 1 3 ? 9.080 3.823 4.471 1.00 0.00 ? 29 A A "O4'" 1
|
| 1011 |
+
ATOM 67 C "C3'" . A A 1 3 ? 9.521 4.036 6.765 1.00 0.00 ? 29 A A "C3'" 1
|
| 1012 |
+
ATOM 68 O "O3'" . A A 1 3 ? 10.413 4.587 7.714 1.00 0.00 ? 29 A A "O3'" 1
|
| 1013 |
+
ATOM 69 C "C2'" . A A 1 3 ? 8.374 4.969 6.436 1.00 0.00 ? 29 A A "C2'" 1
|
| 1014 |
+
ATOM 70 O "O2'" . A A 1 3 ? 8.791 6.317 6.432 1.00 0.00 ? 29 A A "O2'" 1
|
| 1015 |
+
ATOM 71 C "C1'" . A A 1 3 ? 8.003 4.548 5.023 1.00 0.00 ? 29 A A "C1'" 1
|
| 1016 |
+
ATOM 72 N N9 . A A 1 3 ? 6.791 3.726 5.062 1.00 0.00 ? 29 A A N9 1
|
| 1017 |
+
ATOM 73 C C8 . A A 1 3 ? 6.595 2.374 4.969 1.00 0.00 ? 29 A A C8 1
|
| 1018 |
+
ATOM 74 N N7 . A A 1 3 ? 5.334 2.032 4.921 1.00 0.00 ? 29 A A N7 1
|
| 1019 |
+
ATOM 75 C C5 . A A 1 3 ? 4.657 3.248 5.001 1.00 0.00 ? 29 A A C5 1
|
| 1020 |
+
ATOM 76 C C6 . A A 1 3 ? 3.302 3.614 4.972 1.00 0.00 ? 29 A A C6 1
|
| 1021 |
+
ATOM 77 N N6 . A A 1 3 ? 2.307 2.727 4.838 1.00 0.00 ? 29 A A N6 1
|
| 1022 |
+
ATOM 78 N N1 . A A 1 3 ? 3.018 4.925 5.067 1.00 0.00 ? 29 A A N1 1
|
| 1023 |
+
ATOM 79 C C2 . A A 1 3 ? 4.012 5.795 5.196 1.00 0.00 ? 29 A A C2 1
|
| 1024 |
+
ATOM 80 N N3 . A A 1 3 ? 5.302 5.583 5.241 1.00 0.00 ? 29 A A N3 1
|
| 1025 |
+
ATOM 81 C C4 . A A 1 3 ? 5.550 4.269 5.125 1.00 0.00 ? 29 A A C4 1
|
| 1026 |
+
ATOM 82 H "H5'" . A A 1 3 ? 11.614 2.894 4.217 1.00 0.00 ? 29 A A "H5'" 1
|
| 1027 |
+
ATOM 83 H "H5''" . A A 1 3 ? 11.920 2.888 5.967 1.00 0.00 ? 29 A A "H5''" 1
|
| 1028 |
+
ATOM 84 H "H4'" . A A 1 3 ? 10.607 4.914 5.151 1.00 0.00 ? 29 A A "H4'" 1
|
| 1029 |
+
ATOM 85 H "H3'" . A A 1 3 ? 9.109 3.082 7.099 1.00 0.00 ? 29 A A "H3'" 1
|
| 1030 |
+
ATOM 86 H "H2'" . A A 1 3 ? 7.526 4.826 7.091 1.00 0.00 ? 29 A A "H2'" 1
|
| 1031 |
+
ATOM 87 H "HO2'" . A A 1 3 ? 9.398 6.458 5.703 1.00 0.00 ? 29 A A "HO2'" 1
|
| 1032 |
+
ATOM 88 H "H1'" . A A 1 3 ? 7.773 5.452 4.460 1.00 0.00 ? 29 A A "H1'" 1
|
| 1033 |
+
ATOM 89 H H8 . A A 1 3 ? 7.409 1.668 4.929 1.00 0.00 ? 29 A A H8 1
|
| 1034 |
+
ATOM 90 H H61 . A A 1 3 ? 1.346 3.038 4.834 1.00 0.00 ? 29 A A H61 1
|
| 1035 |
+
ATOM 91 H H62 . A A 1 3 ? 2.518 1.743 4.755 1.00 0.00 ? 29 A A H62 1
|
| 1036 |
+
ATOM 92 H H2 . A A 1 3 ? 3.816 6.844 5.265 1.00 0.00 ? 29 A A H2 1
|
| 1037 |
+
ATOM 93 P P . G A 1 4 ? 10.186 4.385 9.302 1.00 0.00 ? 30 G A P 1
|
| 1038 |
+
ATOM 94 O OP1 . G A 1 4 ? 11.320 5.020 10.011 1.00 0.00 ? 30 G A OP1 1
|
| 1039 |
+
ATOM 95 O OP2 . G A 1 4 ? 9.876 2.959 9.548 1.00 0.00 ? 30 G A OP2 1
|
| 1040 |
+
ATOM 96 O "O5'" . G A 1 4 ? 8.864 5.246 9.613 1.00 0.00 ? 30 G A "O5'" 1
|
| 1041 |
+
ATOM 97 C "C5'" . G A 1 4 ? 8.931 6.650 9.717 1.00 0.00 ? 30 G A "C5'" 1
|
| 1042 |
+
ATOM 98 C "C4'" . G A 1 4 ? 7.516 7.217 9.750 1.00 0.00 ? 30 G A "C4'" 1
|
| 1043 |
+
ATOM 99 O "O4'" . G A 1 4 ? 6.745 6.680 8.693 1.00 0.00 ? 30 G A "O4'" 1
|
| 1044 |
+
ATOM 100 C "C3'" . G A 1 4 ? 6.750 6.880 11.022 1.00 0.00 ? 30 G A "C3'" 1
|
| 1045 |
+
ATOM 101 O "O3'" . G A 1 4 ? 7.153 7.702 12.100 1.00 0.00 ? 30 G A "O3'" 1
|
| 1046 |
+
ATOM 102 C "C2'" . G A 1 4 ? 5.340 7.170 10.530 1.00 0.00 ? 30 G A "C2'" 1
|
| 1047 |
+
ATOM 103 O "O2'" . G A 1 4 ? 5.110 8.560 10.477 1.00 0.00 ? 30 G A "O2'" 1
|
| 1048 |
+
ATOM 104 C "C1'" . G A 1 4 ? 5.392 6.619 9.106 1.00 0.00 ? 30 G A "C1'" 1
|
| 1049 |
+
ATOM 105 N N9 . G A 1 4 ? 4.891 5.227 9.104 1.00 0.00 ? 30 G A N9 1
|
| 1050 |
+
ATOM 106 C C8 . G A 1 4 ? 5.564 4.028 9.160 1.00 0.00 ? 30 G A C8 1
|
| 1051 |
+
ATOM 107 N N7 . G A 1 4 ? 4.779 2.986 9.134 1.00 0.00 ? 30 G A N7 1
|
| 1052 |
+
ATOM 108 C C5 . G A 1 4 ? 3.498 3.525 9.063 1.00 0.00 ? 30 G A C5 1
|
| 1053 |
+
ATOM 109 C C6 . G A 1 4 ? 2.234 2.877 9.011 1.00 0.00 ? 30 G A C6 1
|
| 1054 |
+
ATOM 110 O O6 . G A 1 4 ? 1.990 1.672 9.002 1.00 0.00 ? 30 G A O6 1
|
| 1055 |
+
ATOM 111 N N1 . G A 1 4 ? 1.194 3.795 8.967 1.00 0.00 ? 30 G A N1 1
|
| 1056 |
+
ATOM 112 C C2 . G A 1 4 ? 1.345 5.166 8.970 1.00 0.00 ? 30 G A C2 1
|
| 1057 |
+
ATOM 113 N N2 . G A 1 4 ? 0.223 5.897 8.932 1.00 0.00 ? 30 G A N2 1
|
| 1058 |
+
ATOM 114 N N3 . G A 1 4 ? 2.533 5.776 9.010 1.00 0.00 ? 30 G A N3 1
|
| 1059 |
+
ATOM 115 C C4 . G A 1 4 ? 3.559 4.894 9.055 1.00 0.00 ? 30 G A C4 1
|
| 1060 |
+
ATOM 116 H "H5'" . G A 1 4 ? 9.455 7.049 8.849 1.00 0.00 ? 30 G A "H5'" 1
|
| 1061 |
+
ATOM 117 H "H5''" . G A 1 4 ? 9.469 6.932 10.622 1.00 0.00 ? 30 G A "H5''" 1
|
| 1062 |
+
ATOM 118 H "H4'" . G A 1 4 ? 7.563 8.301 9.644 1.00 0.00 ? 30 G A "H4'" 1
|
| 1063 |
+
ATOM 119 H "H3'" . G A 1 4 ? 6.845 5.820 11.259 1.00 0.00 ? 30 G A "H3'" 1
|
| 1064 |
+
ATOM 120 H "H2'" . G A 1 4 ? 4.579 6.673 11.128 1.00 0.00 ? 30 G A "H2'" 1
|
| 1065 |
+
ATOM 121 H "HO2'" . G A 1 4 ? 4.244 8.711 10.092 1.00 0.00 ? 30 G A "HO2'" 1
|
| 1066 |
+
ATOM 122 H "H1'" . G A 1 4 ? 4.768 7.211 8.433 1.00 0.00 ? 30 G A "H1'" 1
|
| 1067 |
+
ATOM 123 H H8 . G A 1 4 ? 6.641 3.924 9.221 1.00 0.00 ? 30 G A H8 1
|
| 1068 |
+
ATOM 124 H H1 . G A 1 4 ? 0.256 3.421 8.932 1.00 0.00 ? 30 G A H1 1
|
| 1069 |
+
ATOM 125 H H21 . G A 1 4 ? -0.676 5.440 8.891 1.00 0.00 ? 30 G A H21 1
|
| 1070 |
+
ATOM 126 H H22 . G A 1 4 ? 0.277 6.906 8.934 1.00 0.00 ? 30 G A H22 1
|
| 1071 |
+
ATOM 127 P P . A A 1 5 ? 6.815 7.319 13.633 1.00 0.00 ? 31 A A P 1
|
| 1072 |
+
ATOM 128 O OP1 . A A 1 5 ? 7.476 8.312 14.509 1.00 0.00 ? 31 A A OP1 1
|
| 1073 |
+
ATOM 129 O OP2 . A A 1 5 ? 7.094 5.877 13.820 1.00 0.00 ? 31 A A OP2 1
|
| 1074 |
+
ATOM 130 O "O5'" . A A 1 5 ? 5.227 7.540 13.747 1.00 0.00 ? 31 A A "O5'" 1
|
| 1075 |
+
ATOM 131 C "C5'" . A A 1 5 ? 4.680 8.838 13.795 1.00 0.00 ? 31 A A "C5'" 1
|
| 1076 |
+
ATOM 132 C "C4'" . A A 1 5 ? 3.163 8.718 13.707 1.00 0.00 ? 31 A A "C4'" 1
|
| 1077 |
+
ATOM 133 O "O4'" . A A 1 5 ? 2.811 7.859 12.650 1.00 0.00 ? 31 A A "O4'" 1
|
| 1078 |
+
ATOM 134 C "C3'" . A A 1 5 ? 2.517 8.100 14.941 1.00 0.00 ? 31 A A "C3'" 1
|
| 1079 |
+
ATOM 135 O "O3'" . A A 1 5 ? 2.401 8.958 16.055 1.00 0.00 ? 31 A A "O3'" 1
|
| 1080 |
+
ATOM 136 C "C2'" . A A 1 5 ? 1.158 7.774 14.357 1.00 0.00 ? 31 A A "C2'" 1
|
| 1081 |
+
ATOM 137 O "O2'" . A A 1 5 ? 0.352 8.931 14.296 1.00 0.00 ? 31 A A "O2'" 1
|
| 1082 |
+
ATOM 138 C "C1'" . A A 1 5 ? 1.525 7.355 12.941 1.00 0.00 ? 31 A A "C1'" 1
|
| 1083 |
+
ATOM 139 N N9 . A A 1 5 ? 1.506 5.882 12.851 1.00 0.00 ? 31 A A N9 1
|
| 1084 |
+
ATOM 140 C C8 . A A 1 5 ? 2.559 5.004 12.891 1.00 0.00 ? 31 A A C8 1
|
| 1085 |
+
ATOM 141 N N7 . A A 1 5 ? 2.208 3.751 12.813 1.00 0.00 ? 31 A A N7 1
|
| 1086 |
+
ATOM 142 C C5 . A A 1 5 ? 0.821 3.799 12.750 1.00 0.00 ? 31 A A C5 1
|
| 1087 |
+
ATOM 143 C C6 . A A 1 5 ? -0.158 2.797 12.682 1.00 0.00 ? 31 A A C6 1
|
| 1088 |
+
ATOM 144 N N6 . A A 1 5 ? 0.140 1.492 12.614 1.00 0.00 ? 31 A A N6 1
|
| 1089 |
+
ATOM 145 N N1 . A A 1 5 ? -1.442 3.184 12.706 1.00 0.00 ? 31 A A N1 1
|
| 1090 |
+
ATOM 146 C C2 . A A 1 5 ? -1.727 4.478 12.775 1.00 0.00 ? 31 A A C2 1
|
| 1091 |
+
ATOM 147 N N3 . A A 1 5 ? -0.904 5.515 12.819 1.00 0.00 ? 31 A A N3 1
|
| 1092 |
+
ATOM 148 C C4 . A A 1 5 ? 0.381 5.094 12.803 1.00 0.00 ? 31 A A C4 1
|
| 1093 |
+
ATOM 149 H "H5'" . A A 1 5 ? 5.045 9.415 12.946 1.00 0.00 ? 31 A A "H5'" 1
|
| 1094 |
+
ATOM 150 H "H5''" . A A 1 5 ? 4.966 9.336 14.722 1.00 0.00 ? 31 A A "H5''" 1
|
| 1095 |
+
ATOM 151 H "H4'" . A A 1 5 ? 2.686 9.669 13.485 1.00 0.00 ? 31 A A "H4'" 1
|
| 1096 |
+
ATOM 152 H "H3'" . A A 1 5 ? 3.049 7.186 15.205 1.00 0.00 ? 31 A A "H3'" 1
|
| 1097 |
+
ATOM 153 H "H2'" . A A 1 5 ? 0.658 6.978 14.894 1.00 0.00 ? 31 A A "H2'" 1
|
| 1098 |
+
ATOM 154 H "HO2'" . A A 1 5 ? 0.379 9.370 15.148 1.00 0.00 ? 31 A A "HO2'" 1
|
| 1099 |
+
ATOM 155 H "H1'" . A A 1 5 ? 0.833 7.836 12.259 1.00 0.00 ? 31 A A "H1'" 1
|
| 1100 |
+
ATOM 156 H H8 . A A 1 5 ? 3.589 5.311 12.990 1.00 0.00 ? 31 A A H8 1
|
| 1101 |
+
ATOM 157 H H61 . A A 1 5 ? -0.594 0.801 12.577 1.00 0.00 ? 31 A A H61 1
|
| 1102 |
+
ATOM 158 H H62 . A A 1 5 ? 1.107 1.198 12.602 1.00 0.00 ? 31 A A H62 1
|
| 1103 |
+
ATOM 159 H H2 . A A 1 5 ? -2.780 4.723 12.808 1.00 0.00 ? 31 A A H2 1
|
| 1104 |
+
ATOM 160 P P . C A 1 6 ? 2.240 8.346 17.544 1.00 0.00 ? 32 C A P 1
|
| 1105 |
+
ATOM 161 O OP1 . C A 1 6 ? 2.028 9.472 18.481 1.00 0.00 ? 32 C A OP1 1
|
| 1106 |
+
ATOM 162 O OP2 . C A 1 6 ? 3.367 7.413 17.768 1.00 0.00 ? 32 C A OP2 1
|
| 1107 |
+
ATOM 163 O "O5'" . C A 1 6 ? 0.880 7.474 17.502 1.00 0.00 ? 32 C A "O5'" 1
|
| 1108 |
+
ATOM 164 C "C5'" . C A 1 6 ? -0.381 8.084 17.673 1.00 0.00 ? 32 C A "C5'" 1
|
| 1109 |
+
ATOM 165 C "C4'" . C A 1 6 ? -1.511 7.064 17.519 1.00 0.00 ? 32 C A "C4'" 1
|
| 1110 |
+
ATOM 166 O "O4'" . C A 1 6 ? -1.379 6.315 16.330 1.00 0.00 ? 32 C A "O4'" 1
|
| 1111 |
+
ATOM 167 C "C3'" . C A 1 6 ? -1.626 6.059 18.661 1.00 0.00 ? 32 C A "C3'" 1
|
| 1112 |
+
ATOM 168 O "O3'" . C A 1 6 ? -2.240 6.731 19.750 1.00 0.00 ? 32 C A "O3'" 1
|
| 1113 |
+
ATOM 169 C "C2'" . C A 1 6 ? -2.504 5.021 17.963 1.00 0.00 ? 32 C A "C2'" 1
|
| 1114 |
+
ATOM 170 O "O2'" . C A 1 6 ? -3.847 5.452 17.971 1.00 0.00 ? 32 C A "O2'" 1
|
| 1115 |
+
ATOM 171 C "C1'" . C A 1 6 ? -1.980 5.047 16.524 1.00 0.00 ? 32 C A "C1'" 1
|
| 1116 |
+
ATOM 172 N N1 . C A 1 6 ? -1.015 3.935 16.285 1.00 0.00 ? 32 C A N1 1
|
| 1117 |
+
ATOM 173 C C2 . C A 1 6 ? -1.553 2.680 16.034 1.00 0.00 ? 32 C A C2 1
|
| 1118 |
+
ATOM 174 O O2 . C A 1 6 ? -2.759 2.478 16.164 1.00 0.00 ? 32 C A O2 1
|
| 1119 |
+
ATOM 175 N N3 . C A 1 6 ? -0.719 1.679 15.643 1.00 0.00 ? 32 C A N3 1
|
| 1120 |
+
ATOM 176 C C4 . C A 1 6 ? 0.597 1.881 15.519 1.00 0.00 ? 32 C A C4 1
|
| 1121 |
+
ATOM 177 N N4 . C A 1 6 ? 1.380 0.862 15.137 1.00 0.00 ? 32 C A N4 1
|
| 1122 |
+
ATOM 178 C C5 . C A 1 6 ? 1.181 3.150 15.826 1.00 0.00 ? 32 C A C5 1
|
| 1123 |
+
ATOM 179 C C6 . C A 1 6 ? 0.341 4.133 16.213 1.00 0.00 ? 32 C A C6 1
|
| 1124 |
+
ATOM 180 H "H5'" . C A 1 6 ? -0.508 8.861 16.922 1.00 0.00 ? 32 C A "H5'" 1
|
| 1125 |
+
ATOM 181 H "H5''" . C A 1 6 ? -0.436 8.537 18.663 1.00 0.00 ? 32 C A "H5''" 1
|
| 1126 |
+
ATOM 182 H "H4'" . C A 1 6 ? -2.454 7.607 17.470 1.00 0.00 ? 32 C A "H4'" 1
|
| 1127 |
+
ATOM 183 H "H3'" . C A 1 6 ? -0.670 5.606 18.923 1.00 0.00 ? 32 C A "H3'" 1
|
| 1128 |
+
ATOM 184 H "H2'" . C A 1 6 ? -2.421 4.016 18.374 1.00 0.00 ? 32 C A "H2'" 1
|
| 1129 |
+
ATOM 185 H "HO2'" . C A 1 6 ? -4.369 4.829 17.461 1.00 0.00 ? 32 C A "HO2'" 1
|
| 1130 |
+
ATOM 186 H "H1'" . C A 1 6 ? -2.809 4.972 15.818 1.00 0.00 ? 32 C A "H1'" 1
|
| 1131 |
+
ATOM 187 H H41 . C A 1 6 ? 0.972 -0.039 14.933 1.00 0.00 ? 32 C A H41 1
|
| 1132 |
+
ATOM 188 H H42 . C A 1 6 ? 2.377 0.996 15.052 1.00 0.00 ? 32 C A H42 1
|
| 1133 |
+
ATOM 189 H H5 . C A 1 6 ? 2.238 3.360 15.734 1.00 0.00 ? 32 C A H5 1
|
| 1134 |
+
ATOM 190 H H6 . C A 1 6 ? 0.795 5.070 16.484 1.00 0.00 ? 32 C A H6 1
|
| 1135 |
+
ATOM 191 P P . U A 1 7 ? -2.006 6.333 21.303 1.00 0.00 ? 33 U A P 1
|
| 1136 |
+
ATOM 192 O OP1 . U A 1 7 ? -2.413 7.488 22.134 1.00 0.00 ? 33 U A OP1 1
|
| 1137 |
+
ATOM 193 O OP2 . U A 1 7 ? -0.648 5.765 21.458 1.00 0.00 ? 33 U A OP2 1
|
| 1138 |
+
ATOM 194 O "O5'" . U A 1 7 ? -3.073 5.160 21.544 1.00 0.00 ? 33 U A "O5'" 1
|
| 1139 |
+
ATOM 195 C "C5'" . U A 1 7 ? -4.452 5.422 21.470 1.00 0.00 ? 33 U A "C5'" 1
|
| 1140 |
+
ATOM 196 C "C4'" . U A 1 7 ? -5.159 4.174 20.954 1.00 0.00 ? 33 U A "C4'" 1
|
| 1141 |
+
ATOM 197 O "O4'" . U A 1 7 ? -4.371 3.626 19.915 1.00 0.00 ? 33 U A "O4'" 1
|
| 1142 |
+
ATOM 198 C "C3'" . U A 1 7 ? -5.304 3.068 22.011 1.00 0.00 ? 33 U A "C3'" 1
|
| 1143 |
+
ATOM 199 O "O3'" . U A 1 7 ? -6.619 2.937 22.559 1.00 0.00 ? 33 U A "O3'" 1
|
| 1144 |
+
ATOM 200 C "C2'" . U A 1 7 ? -4.900 1.793 21.288 1.00 0.00 ? 33 U A "C2'" 1
|
| 1145 |
+
ATOM 201 O "O2'" . U A 1 7 ? -6.035 1.031 21.032 1.00 0.00 ? 33 U A "O2'" 1
|
| 1146 |
+
ATOM 202 C "C1'" . U A 1 7 ? -4.479 2.212 19.898 1.00 0.00 ? 33 U A "C1'" 1
|
| 1147 |
+
ATOM 203 N N1 . U A 1 7 ? -3.150 1.605 19.627 1.00 0.00 ? 33 U A N1 1
|
| 1148 |
+
ATOM 204 C C2 . U A 1 7 ? -3.060 0.496 18.795 1.00 0.00 ? 33 U A C2 1
|
| 1149 |
+
ATOM 205 O O2 . U A 1 7 ? -4.037 -0.038 18.275 1.00 0.00 ? 33 U A O2 1
|
| 1150 |
+
ATOM 206 N N3 . U A 1 7 ? -1.785 -0.005 18.581 1.00 0.00 ? 33 U A N3 1
|
| 1151 |
+
ATOM 207 C C4 . U A 1 7 ? -0.614 0.456 19.162 1.00 0.00 ? 33 U A C4 1
|
| 1152 |
+
ATOM 208 O O4 . U A 1 7 ? 0.468 -0.058 18.888 1.00 0.00 ? 33 U A O4 1
|
| 1153 |
+
ATOM 209 C C5 . U A 1 7 ? -0.814 1.542 20.089 1.00 0.00 ? 33 U A C5 1
|
| 1154 |
+
ATOM 210 C C6 . U A 1 7 ? -2.042 2.068 20.287 1.00 0.00 ? 33 U A C6 1
|
| 1155 |
+
ATOM 211 H "H5'" . U A 1 7 ? -4.611 6.219 20.744 1.00 0.00 ? 33 U A "H5'" 1
|
| 1156 |
+
ATOM 212 H "H5''" . U A 1 7 ? -4.847 5.733 22.438 1.00 0.00 ? 33 U A "H5''" 1
|
| 1157 |
+
ATOM 213 H "H4'" . U A 1 7 ? -6.098 4.552 20.561 1.00 0.00 ? 33 U A "H4'" 1
|
| 1158 |
+
ATOM 214 H "H3'" . U A 1 7 ? -4.531 3.242 22.762 1.00 0.00 ? 33 U A "H3'" 1
|
| 1159 |
+
ATOM 215 H "H2'" . U A 1 7 ? -4.151 1.223 21.836 1.00 0.00 ? 33 U A "H2'" 1
|
| 1160 |
+
ATOM 216 H "HO2'" . U A 1 7 ? -6.697 1.622 20.670 1.00 0.00 ? 33 U A "HO2'" 1
|
| 1161 |
+
ATOM 217 H "H1'" . U A 1 7 ? -5.271 1.876 19.218 1.00 0.00 ? 33 U A "H1'" 1
|
| 1162 |
+
ATOM 218 H H3 . U A 1 7 ? -1.703 -0.791 17.951 1.00 0.00 ? 33 U A H3 1
|
| 1163 |
+
ATOM 219 H H5 . U A 1 7 ? 0.030 1.943 20.631 1.00 0.00 ? 33 U A H5 1
|
| 1164 |
+
ATOM 220 H H6 . U A 1 7 ? -2.159 2.865 21.006 1.00 0.00 ? 33 U A H6 1
|
| 1165 |
+
ATOM 221 P P . U A 1 8 ? -6.927 1.940 23.817 1.00 0.00 ? 34 U A P 1
|
| 1166 |
+
ATOM 222 O OP1 . U A 1 8 ? -8.097 2.490 24.537 1.00 0.00 ? 34 U A OP1 1
|
| 1167 |
+
ATOM 223 O OP2 . U A 1 8 ? -5.654 1.752 24.548 1.00 0.00 ? 34 U A OP2 1
|
| 1168 |
+
ATOM 224 O "O5'" . U A 1 8 ? -7.369 0.484 23.229 1.00 0.00 ? 34 U A "O5'" 1
|
| 1169 |
+
ATOM 225 C "C5'" . U A 1 8 ? -8.720 0.034 23.135 1.00 0.00 ? 34 U A "C5'" 1
|
| 1170 |
+
ATOM 226 C "C4'" . U A 1 8 ? -8.983 -1.163 22.172 1.00 0.00 ? 34 U A "C4'" 1
|
| 1171 |
+
ATOM 227 O "O4'" . U A 1 8 ? -9.909 -0.826 21.163 1.00 0.00 ? 34 U A "O4'" 1
|
| 1172 |
+
ATOM 228 C "C3'" . U A 1 8 ? -7.770 -1.799 21.485 1.00 0.00 ? 34 U A "C3'" 1
|
| 1173 |
+
ATOM 229 O "O3'" . U A 1 8 ? -7.735 -3.177 21.790 1.00 0.00 ? 34 U A "O3'" 1
|
| 1174 |
+
ATOM 230 C "C2'" . U A 1 8 ? -7.974 -1.656 19.989 1.00 0.00 ? 34 U A "C2'" 1
|
| 1175 |
+
ATOM 231 O "O2'" . U A 1 8 ? -7.732 -2.892 19.356 1.00 0.00 ? 34 U A "O2'" 1
|
| 1176 |
+
ATOM 232 C "C1'" . U A 1 8 ? -9.468 -1.314 19.903 1.00 0.00 ? 34 U A "C1'" 1
|
| 1177 |
+
ATOM 233 N N1 . U A 1 8 ? -9.602 -0.130 19.038 1.00 0.00 ? 34 U A N1 1
|
| 1178 |
+
ATOM 234 C C2 . U A 1 8 ? -10.292 -0.180 17.837 1.00 0.00 ? 34 U A C2 1
|
| 1179 |
+
ATOM 235 O O2 . U A 1 8 ? -10.772 -1.215 17.379 1.00 0.00 ? 34 U A O2 1
|
| 1180 |
+
ATOM 236 N N3 . U A 1 8 ? -10.411 1.030 17.168 1.00 0.00 ? 34 U A N3 1
|
| 1181 |
+
ATOM 237 C C4 . U A 1 8 ? -9.912 2.255 17.592 1.00 0.00 ? 34 U A C4 1
|
| 1182 |
+
ATOM 238 O O4 . U A 1 8 ? -10.082 3.268 16.917 1.00 0.00 ? 34 U A O4 1
|
| 1183 |
+
ATOM 239 C C5 . U A 1 8 ? -9.205 2.201 18.852 1.00 0.00 ? 34 U A C5 1
|
| 1184 |
+
ATOM 240 C C6 . U A 1 8 ? -9.087 1.034 19.519 1.00 0.00 ? 34 U A C6 1
|
| 1185 |
+
ATOM 241 H "H5'" . U A 1 8 ? -9.343 0.870 22.820 1.00 0.00 ? 34 U A "H5'" 1
|
| 1186 |
+
ATOM 242 H "H5''" . U A 1 8 ? -9.043 -0.258 24.134 1.00 0.00 ? 34 U A "H5''" 1
|
| 1187 |
+
ATOM 243 H "H4'" . U A 1 8 ? -9.444 -1.948 22.771 1.00 0.00 ? 34 U A "H4'" 1
|
| 1188 |
+
ATOM 244 H "H3'" . U A 1 8 ? -6.862 -1.251 21.652 1.00 0.00 ? 34 U A "H3'" 1
|
| 1189 |
+
ATOM 245 H "H2'" . U A 1 8 ? -7.255 -0.913 19.588 1.00 0.00 ? 34 U A "H2'" 1
|
| 1190 |
+
ATOM 246 H "HO2'" . U A 1 8 ? -8.332 -3.546 19.723 1.00 0.00 ? 34 U A "HO2'" 1
|
| 1191 |
+
ATOM 247 H "H1'" . U A 1 8 ? -10.055 -2.180 19.598 1.00 0.00 ? 34 U A "H1'" 1
|
| 1192 |
+
ATOM 248 H H3 . U A 1 8 ? -10.910 1.020 16.290 1.00 0.00 ? 34 U A H3 1
|
| 1193 |
+
ATOM 249 H H5 . U A 1 8 ? -8.769 3.100 19.263 1.00 0.00 ? 34 U A H5 1
|
| 1194 |
+
ATOM 250 H H6 . U A 1 8 ? -8.537 0.939 20.452 1.00 0.00 ? 34 U A H6 1
|
| 1195 |
+
ATOM 251 P P . U A 1 9 ? -6.919 -3.759 23.049 1.00 0.00 ? 35 U A P 1
|
| 1196 |
+
ATOM 252 O OP1 . U A 1 9 ? -7.341 -5.162 23.255 1.00 0.00 ? 35 U A OP1 1
|
| 1197 |
+
ATOM 253 O OP2 . U A 1 9 ? -7.022 -2.788 24.162 1.00 0.00 ? 35 U A OP2 1
|
| 1198 |
+
ATOM 254 O "O5'" . U A 1 9 ? -5.398 -3.773 22.528 1.00 0.00 ? 35 U A "O5'" 1
|
| 1199 |
+
ATOM 255 C "C5'" . U A 1 9 ? -5.096 -4.138 21.206 1.00 0.00 ? 35 U A "C5'" 1
|
| 1200 |
+
ATOM 256 C "C4'" . U A 1 9 ? -3.602 -4.399 20.972 1.00 0.00 ? 35 U A "C4'" 1
|
| 1201 |
+
ATOM 257 O "O4'" . U A 1 9 ? -2.856 -3.345 21.546 1.00 0.00 ? 35 U A "O4'" 1
|
| 1202 |
+
ATOM 258 C "C3'" . U A 1 9 ? -3.052 -5.696 21.552 1.00 0.00 ? 35 U A "C3'" 1
|
| 1203 |
+
ATOM 259 O "O3'" . U A 1 9 ? -2.547 -6.489 20.493 1.00 0.00 ? 35 U A "O3'" 1
|
| 1204 |
+
ATOM 260 C "C2'" . U A 1 9 ? -1.895 -5.324 22.454 1.00 0.00 ? 35 U A "C2'" 1
|
| 1205 |
+
ATOM 261 O "O2'" . U A 1 9 ? -0.747 -6.024 22.046 1.00 0.00 ? 35 U A "O2'" 1
|
| 1206 |
+
ATOM 262 C "C1'" . U A 1 9 ? -1.668 -3.847 22.135 1.00 0.00 ? 35 U A "C1'" 1
|
| 1207 |
+
ATOM 263 N N1 . U A 1 9 ? -1.544 -3.094 23.407 1.00 0.00 ? 35 U A N1 1
|
| 1208 |
+
ATOM 264 C C2 . U A 1 9 ? -0.434 -2.290 23.631 1.00 0.00 ? 35 U A C2 1
|
| 1209 |
+
ATOM 265 O O2 . U A 1 9 ? 0.549 -2.274 22.893 1.00 0.00 ? 35 U A O2 1
|
| 1210 |
+
ATOM 266 N N3 . U A 1 9 ? -0.489 -1.481 24.756 1.00 0.00 ? 35 U A N3 1
|
| 1211 |
+
ATOM 267 C C4 . U A 1 9 ? -1.544 -1.391 25.651 1.00 0.00 ? 35 U A C4 1
|
| 1212 |
+
ATOM 268 O O4 . U A 1 9 ? -1.492 -0.617 26.605 1.00 0.00 ? 35 U A O4 1
|
| 1213 |
+
ATOM 269 C C5 . U A 1 9 ? -2.650 -2.268 25.349 1.00 0.00 ? 35 U A C5 1
|
| 1214 |
+
ATOM 270 C C6 . U A 1 9 ? -2.615 -3.077 24.263 1.00 0.00 ? 35 U A C6 1
|
| 1215 |
+
ATOM 271 H "H5'" . U A 1 9 ? -5.406 -3.312 20.568 1.00 0.00 ? 35 U A "H5'" 1
|
| 1216 |
+
ATOM 272 H "H5''" . U A 1 9 ? -5.667 -5.025 20.929 1.00 0.00 ? 35 U A "H5''" 1
|
| 1217 |
+
ATOM 273 H "H4'" . U A 1 9 ? -3.408 -4.448 19.901 1.00 0.00 ? 35 U A "H4'" 1
|
| 1218 |
+
ATOM 274 H "H3'" . U A 1 9 ? -3.804 -6.094 22.233 1.00 0.00 ? 35 U A "H3'" 1
|
| 1219 |
+
ATOM 275 H "H2'" . U A 1 9 ? -2.072 -5.633 23.481 1.00 0.00 ? 35 U A "H2'" 1
|
| 1220 |
+
ATOM 276 H "HO2'" . U A 1 9 ? -0.878 -6.952 22.252 1.00 0.00 ? 35 U A "HO2'" 1
|
| 1221 |
+
ATOM 277 H "H1'" . U A 1 9 ? -0.837 -3.743 21.439 1.00 0.00 ? 35 U A "H1'" 1
|
| 1222 |
+
ATOM 278 H H3 . U A 1 9 ? 0.310 -0.889 24.933 1.00 0.00 ? 35 U A H3 1
|
| 1223 |
+
ATOM 279 H H5 . U A 1 9 ? -3.518 -2.247 25.998 1.00 0.00 ? 35 U A H5 1
|
| 1224 |
+
ATOM 280 H H6 . U A 1 9 ? -3.439 -3.757 24.052 1.00 0.00 ? 35 U A H6 1
|
| 1225 |
+
ATOM 281 P P . U A 1 10 ? -2.208 -8.072 20.675 1.00 0.00 ? 36 U A P 1
|
| 1226 |
+
ATOM 282 O OP1 . U A 1 10 ? -3.411 -8.827 20.258 1.00 0.00 ? 36 U A OP1 1
|
| 1227 |
+
ATOM 283 O OP2 . U A 1 10 ? -1.674 -8.267 22.041 1.00 0.00 ? 36 U A OP2 1
|
| 1228 |
+
ATOM 284 O "O5'" . U A 1 10 ? -1.012 -8.442 19.624 1.00 0.00 ? 36 U A "O5'" 1
|
| 1229 |
+
ATOM 285 C "C5'" . U A 1 10 ? 0.307 -7.952 19.802 1.00 0.00 ? 36 U A "C5'" 1
|
| 1230 |
+
ATOM 286 C "C4'" . U A 1 10 ? 1.428 -8.779 19.129 1.00 0.00 ? 36 U A "C4'" 1
|
| 1231 |
+
ATOM 287 O "O4'" . U A 1 10 ? 2.188 -9.318 20.207 1.00 0.00 ? 36 U A "O4'" 1
|
| 1232 |
+
ATOM 288 C "C3'" . U A 1 10 ? 0.987 -9.962 18.236 1.00 0.00 ? 36 U A "C3'" 1
|
| 1233 |
+
ATOM 289 O "O3'" . U A 1 10 ? 1.894 -10.441 17.239 1.00 0.00 ? 36 U A "O3'" 1
|
| 1234 |
+
ATOM 290 C "C2'" . U A 1 10 ? 0.952 -11.026 19.293 1.00 0.00 ? 36 U A "C2'" 1
|
| 1235 |
+
ATOM 291 O "O2'" . U A 1 10 ? 0.922 -12.325 18.746 1.00 0.00 ? 36 U A "O2'" 1
|
| 1236 |
+
ATOM 292 C "C1'" . U A 1 10 ? 2.239 -10.718 20.047 1.00 0.00 ? 36 U A "C1'" 1
|
| 1237 |
+
ATOM 293 N N1 . U A 1 10 ? 2.352 -11.465 21.331 1.00 0.00 ? 36 U A N1 1
|
| 1238 |
+
ATOM 294 C C2 . U A 1 10 ? 3.617 -11.777 21.809 1.00 0.00 ? 36 U A C2 1
|
| 1239 |
+
ATOM 295 O O2 . U A 1 10 ? 4.650 -11.363 21.287 1.00 0.00 ? 36 U A O2 1
|
| 1240 |
+
ATOM 296 N N3 . U A 1 10 ? 3.663 -12.591 22.931 1.00 0.00 ? 36 U A N3 1
|
| 1241 |
+
ATOM 297 C C4 . U A 1 10 ? 2.572 -13.100 23.617 1.00 0.00 ? 36 U A C4 1
|
| 1242 |
+
ATOM 298 O O4 . U A 1 10 ? 2.729 -13.819 24.601 1.00 0.00 ? 36 U A O4 1
|
| 1243 |
+
ATOM 299 C C5 . U A 1 10 ? 1.298 -12.702 23.067 1.00 0.00 ? 36 U A C5 1
|
| 1244 |
+
ATOM 300 C C6 . U A 1 10 ? 1.226 -11.917 21.970 1.00 0.00 ? 36 U A C6 1
|
| 1245 |
+
ATOM 301 H "H5'" . U A 1 10 ? 0.518 -7.976 20.870 1.00 0.00 ? 36 U A "H5'" 1
|
| 1246 |
+
ATOM 302 H "H5''" . U A 1 10 ? 0.361 -6.911 19.483 1.00 0.00 ? 36 U A "H5''" 1
|
| 1247 |
+
ATOM 303 H "H4'" . U A 1 10 ? 2.040 -8.088 18.561 1.00 0.00 ? 36 U A "H4'" 1
|
| 1248 |
+
ATOM 304 H "H3'" . U A 1 10 ? -0.027 -9.891 17.877 1.00 0.00 ? 36 U A "H3'" 1
|
| 1249 |
+
ATOM 305 H "H2'" . U A 1 10 ? 0.052 -10.778 19.844 1.00 0.00 ? 36 U A "H2'" 1
|
| 1250 |
+
ATOM 306 H "HO2'" . U A 1 10 ? 1.706 -12.446 18.205 1.00 0.00 ? 36 U A "HO2'" 1
|
| 1251 |
+
ATOM 307 H "H1'" . U A 1 10 ? 3.072 -10.937 19.382 1.00 0.00 ? 36 U A "H1'" 1
|
| 1252 |
+
ATOM 308 H H3 . U A 1 10 ? 4.578 -12.833 23.284 1.00 0.00 ? 36 U A H3 1
|
| 1253 |
+
ATOM 309 H H5 . U A 1 10 ? 0.387 -13.038 23.540 1.00 0.00 ? 36 U A H5 1
|
| 1254 |
+
ATOM 310 H H6 . U A 1 10 ? 0.244 -11.643 21.604 1.00 0.00 ? 36 U A H6 1
|
| 1255 |
+
ATOM 311 P P . A A 1 11 ? 1.942 -9.969 15.674 1.00 0.00 ? 37 A A P 1
|
| 1256 |
+
ATOM 312 O OP1 . A A 1 11 ? 2.285 -11.169 14.879 1.00 0.00 ? 37 A A OP1 1
|
| 1257 |
+
ATOM 313 O OP2 . A A 1 11 ? 2.808 -8.773 15.575 1.00 0.00 ? 37 A A OP2 1
|
| 1258 |
+
ATOM 314 O "O5'" . A A 1 11 ? 0.417 -9.579 15.315 1.00 0.00 ? 37 A A "O5'" 1
|
| 1259 |
+
ATOM 315 C "C5'" . A A 1 11 ? -0.699 -10.429 15.371 1.00 0.00 ? 37 A A "C5'" 1
|
| 1260 |
+
ATOM 316 C "C4'" . A A 1 11 ? -1.780 -9.441 15.829 1.00 0.00 ? 37 A A "C4'" 1
|
| 1261 |
+
ATOM 317 O "O4'" . A A 1 11 ? -1.174 -8.621 16.820 1.00 0.00 ? 37 A A "O4'" 1
|
| 1262 |
+
ATOM 318 C "C3'" . A A 1 11 ? -2.274 -8.489 14.742 1.00 0.00 ? 37 A A "C3'" 1
|
| 1263 |
+
ATOM 319 O "O3'" . A A 1 11 ? -3.486 -9.004 14.208 1.00 0.00 ? 37 A A "O3'" 1
|
| 1264 |
+
ATOM 320 C "C2'" . A A 1 11 ? -2.396 -7.176 15.482 1.00 0.00 ? 37 A A "C2'" 1
|
| 1265 |
+
ATOM 321 O "O2'" . A A 1 11 ? -3.732 -6.840 15.708 1.00 0.00 ? 37 A A "O2'" 1
|
| 1266 |
+
ATOM 322 C "C1'" . A A 1 11 ? -1.703 -7.316 16.806 1.00 0.00 ? 37 A A "C1'" 1
|
| 1267 |
+
ATOM 323 N N9 . A A 1 11 ? -0.691 -6.265 16.822 1.00 0.00 ? 37 A A N9 1
|
| 1268 |
+
ATOM 324 C C8 . A A 1 11 ? 0.589 -6.374 16.420 1.00 0.00 ? 37 A A C8 1
|
| 1269 |
+
ATOM 325 N N7 . A A 1 11 ? 1.250 -5.248 16.397 1.00 0.00 ? 37 A A N7 1
|
| 1270 |
+
ATOM 326 C C5 . A A 1 11 ? 0.287 -4.308 16.771 1.00 0.00 ? 37 A A C5 1
|
| 1271 |
+
ATOM 327 C C6 . A A 1 11 ? 0.289 -2.906 16.849 1.00 0.00 ? 37 A A C6 1
|
| 1272 |
+
ATOM 328 N N6 . A A 1 11 ? 1.378 -2.157 16.631 1.00 0.00 ? 37 A A N6 1
|
| 1273 |
+
ATOM 329 N N1 . A A 1 11 ? -0.884 -2.300 17.096 1.00 0.00 ? 37 A A N1 1
|
| 1274 |
+
ATOM 330 C C2 . A A 1 11 ? -1.972 -3.035 17.287 1.00 0.00 ? 37 A A C2 1
|
| 1275 |
+
ATOM 331 N N3 . A A 1 11 ? -2.099 -4.350 17.282 1.00 0.00 ? 37 A A N3 1
|
| 1276 |
+
ATOM 332 C C4 . A A 1 11 ? -0.908 -4.927 17.016 1.00 0.00 ? 37 A A C4 1
|
| 1277 |
+
ATOM 333 H "H5'" . A A 1 11 ? -0.563 -11.247 16.075 1.00 0.00 ? 37 A A "H5'" 1
|
| 1278 |
+
ATOM 334 H "H5''" . A A 1 11 ? -0.932 -10.831 14.385 1.00 0.00 ? 37 A A "H5''" 1
|
| 1279 |
+
ATOM 335 H "H4'" . A A 1 11 ? -2.635 -9.965 16.255 1.00 0.00 ? 37 A A "H4'" 1
|
| 1280 |
+
ATOM 336 H "H3'" . A A 1 11 ? -1.528 -8.254 13.987 1.00 0.00 ? 37 A A "H3'" 1
|
| 1281 |
+
ATOM 337 H "H2'" . A A 1 11 ? -1.779 -6.456 14.962 1.00 0.00 ? 37 A A "H2'" 1
|
| 1282 |
+
ATOM 338 H "HO2'" . A A 1 11 ? -3.759 -6.017 16.202 1.00 0.00 ? 37 A A "HO2'" 1
|
| 1283 |
+
ATOM 339 H "H1'" . A A 1 11 ? -2.285 -7.062 17.664 1.00 0.00 ? 37 A A "H1'" 1
|
| 1284 |
+
ATOM 340 H H8 . A A 1 11 ? 0.897 -7.356 16.132 1.00 0.00 ? 37 A A H8 1
|
| 1285 |
+
ATOM 341 H H61 . A A 1 11 ? 1.316 -1.150 16.677 1.00 0.00 ? 37 A A H61 1
|
| 1286 |
+
ATOM 342 H H62 . A A 1 11 ? 2.261 -2.599 16.420 1.00 0.00 ? 37 A A H62 1
|
| 1287 |
+
ATOM 343 H H2 . A A 1 11 ? -2.901 -2.505 17.440 1.00 0.00 ? 37 A A H2 1
|
| 1288 |
+
ATOM 344 P P . A A 1 12 ? -4.097 -8.563 12.770 1.00 0.00 ? 38 A A P 1
|
| 1289 |
+
ATOM 345 O OP1 . A A 1 12 ? -4.955 -9.667 12.286 1.00 0.00 ? 38 A A OP1 1
|
| 1290 |
+
ATOM 346 O OP2 . A A 1 12 ? -2.991 -8.074 11.916 1.00 0.00 ? 38 A A OP2 1
|
| 1291 |
+
ATOM 347 O "O5'" . A A 1 12 ? -5.056 -7.315 13.102 1.00 0.00 ? 38 A A "O5'" 1
|
| 1292 |
+
ATOM 348 C "C5'" . A A 1 12 ? -6.353 -7.493 13.626 1.00 0.00 ? 38 A A "C5'" 1
|
| 1293 |
+
ATOM 349 C "C4'" . A A 1 12 ? -6.828 -6.168 14.215 1.00 0.00 ? 38 A A "C4'" 1
|
| 1294 |
+
ATOM 350 O "O4'" . A A 1 12 ? -5.843 -5.682 15.117 1.00 0.00 ? 38 A A "O4'" 1
|
| 1295 |
+
ATOM 351 C "C3'" . A A 1 12 ? -7.042 -5.038 13.220 1.00 0.00 ? 38 A A "C3'" 1
|
| 1296 |
+
ATOM 352 O "O3'" . A A 1 12 ? -8.330 -5.145 12.603 1.00 0.00 ? 38 A A "O3'" 1
|
| 1297 |
+
ATOM 353 C "C2'" . A A 1 12 ? -6.893 -3.820 14.140 1.00 0.00 ? 38 A A "C2'" 1
|
| 1298 |
+
ATOM 354 O "O2'" . A A 1 12 ? -8.104 -3.568 14.819 1.00 0.00 ? 38 A A "O2'" 1
|
| 1299 |
+
ATOM 355 C "C1'" . A A 1 12 ? -5.814 -4.262 15.129 1.00 0.00 ? 38 A A "C1'" 1
|
| 1300 |
+
ATOM 356 N N9 . A A 1 12 ? -4.528 -3.710 14.760 1.00 0.00 ? 38 A A N9 1
|
| 1301 |
+
ATOM 357 C C8 . A A 1 12 ? -3.576 -4.292 13.977 1.00 0.00 ? 38 A A C8 1
|
| 1302 |
+
ATOM 358 N N7 . A A 1 12 ? -2.567 -3.481 13.783 1.00 0.00 ? 38 A A N7 1
|
| 1303 |
+
ATOM 359 C C5 . A A 1 12 ? -2.955 -2.282 14.397 1.00 0.00 ? 38 A A C5 1
|
| 1304 |
+
ATOM 360 C C6 . A A 1 12 ? -2.338 -1.027 14.533 1.00 0.00 ? 38 A A C6 1
|
| 1305 |
+
ATOM 361 N N6 . A A 1 12 ? -1.086 -0.751 14.145 1.00 0.00 ? 38 A A N6 1
|
| 1306 |
+
ATOM 362 N N1 . A A 1 12 ? -3.088 -0.053 15.062 1.00 0.00 ? 38 A A N1 1
|
| 1307 |
+
ATOM 363 C C2 . A A 1 12 ? -4.324 -0.275 15.478 1.00 0.00 ? 38 A A C2 1
|
| 1308 |
+
ATOM 364 N N3 . A A 1 12 ? -4.983 -1.422 15.477 1.00 0.00 ? 38 A A N3 1
|
| 1309 |
+
ATOM 365 C C4 . A A 1 12 ? -4.220 -2.389 14.913 1.00 0.00 ? 38 A A C4 1
|
| 1310 |
+
ATOM 366 H H1 . A A 1 12 ? -2.703 0.876 15.142 1.00 0.00 ? 38 A A H1 1
|
| 1311 |
+
ATOM 367 H "H5'" . A A 1 12 ? -6.318 -8.230 14.428 1.00 0.00 ? 38 A A "H5'" 1
|
| 1312 |
+
ATOM 368 H "H5''" . A A 1 12 ? -7.041 -7.822 12.848 1.00 0.00 ? 38 A A "H5''" 1
|
| 1313 |
+
ATOM 369 H "H4'" . A A 1 12 ? -7.756 -6.320 14.784 1.00 0.00 ? 38 A A "H4'" 1
|
| 1314 |
+
ATOM 370 H "H3'" . A A 1 12 ? -6.232 -5.072 12.479 1.00 0.00 ? 38 A A "H3'" 1
|
| 1315 |
+
ATOM 371 H "H2'" . A A 1 12 ? -6.551 -2.937 13.594 1.00 0.00 ? 38 A A "H2'" 1
|
| 1316 |
+
ATOM 372 H "HO2'" . A A 1 12 ? -7.976 -2.833 15.442 1.00 0.00 ? 38 A A "HO2'" 1
|
| 1317 |
+
ATOM 373 H "H1'" . A A 1 12 ? -5.995 -3.963 16.168 1.00 0.00 ? 38 A A "H1'" 1
|
| 1318 |
+
ATOM 374 H H8 . A A 1 12 ? -3.630 -5.303 13.603 1.00 0.00 ? 38 A A H8 1
|
| 1319 |
+
ATOM 375 H H61 . A A 1 12 ? -0.709 0.175 14.297 1.00 0.00 ? 38 A A H61 1
|
| 1320 |
+
ATOM 376 H H62 . A A 1 12 ? -0.513 -1.471 13.726 1.00 0.00 ? 38 A A H62 1
|
| 1321 |
+
ATOM 377 H H2 . A A 1 12 ? -4.850 0.583 15.879 1.00 0.00 ? 38 A A H2 1
|
| 1322 |
+
ATOM 378 P P . U A 1 13 ? -8.441 -4.285 11.229 1.00 0.00 ? 39 U A P 1
|
| 1323 |
+
ATOM 379 O OP1 . U A 1 13 ? -9.859 -4.314 10.805 1.00 0.00 ? 39 U A OP1 1
|
| 1324 |
+
ATOM 380 O OP2 . U A 1 13 ? -7.404 -4.787 10.300 1.00 0.00 ? 39 U A OP2 1
|
| 1325 |
+
ATOM 381 O "O5'" . U A 1 13 ? -8.075 -2.757 11.582 1.00 0.00 ? 39 U A "O5'" 1
|
| 1326 |
+
ATOM 382 C "C5'" . U A 1 13 ? -9.048 -1.867 12.079 1.00 0.00 ? 39 U A "C5'" 1
|
| 1327 |
+
ATOM 383 C "C4'" . U A 1 13 ? -8.434 -0.481 12.281 1.00 0.00 ? 39 U A "C4'" 1
|
| 1328 |
+
ATOM 384 O "O4'" . U A 1 13 ? -7.288 -0.551 13.109 1.00 0.00 ? 39 U A "O4'" 1
|
| 1329 |
+
ATOM 385 C "C3'" . U A 1 13 ? -7.977 0.216 11.000 1.00 0.00 ? 39 U A "C3'" 1
|
| 1330 |
+
ATOM 386 O "O3'" . U A 1 13 ? -9.050 0.792 10.281 1.00 0.00 ? 39 U A "O3'" 1
|
| 1331 |
+
ATOM 387 C "C2'" . U A 1 13 ? -7.061 1.253 11.604 1.00 0.00 ? 39 U A "C2'" 1
|
| 1332 |
+
ATOM 388 O "O2'" . U A 1 13 ? -7.780 2.380 12.051 1.00 0.00 ? 39 U A "O2'" 1
|
| 1333 |
+
ATOM 389 C "C1'" . U A 1 13 ? -6.433 0.534 12.786 1.00 0.00 ? 39 U A "C1'" 1
|
| 1334 |
+
ATOM 390 N N1 . U A 1 13 ? -5.073 0.096 12.370 1.00 0.00 ? 39 U A N1 1
|
| 1335 |
+
ATOM 391 C C2 . U A 1 13 ? -4.039 1.017 12.463 1.00 0.00 ? 39 U A C2 1
|
| 1336 |
+
ATOM 392 O O2 . U A 1 13 ? -4.201 2.162 12.882 1.00 0.00 ? 39 U A O2 1
|
| 1337 |
+
ATOM 393 N N3 . U A 1 13 ? -2.792 0.587 12.036 1.00 0.00 ? 39 U A N3 1
|
| 1338 |
+
ATOM 394 C C4 . U A 1 13 ? -2.482 -0.668 11.534 1.00 0.00 ? 39 U A C4 1
|
| 1339 |
+
ATOM 395 O O4 . U A 1 13 ? -1.330 -0.951 11.212 1.00 0.00 ? 39 U A O4 1
|
| 1340 |
+
ATOM 396 C C5 . U A 1 13 ? -3.620 -1.548 11.435 1.00 0.00 ? 39 U A C5 1
|
| 1341 |
+
ATOM 397 C C6 . U A 1 13 ? -4.847 -1.140 11.824 1.00 0.00 ? 39 U A C6 1
|
| 1342 |
+
ATOM 398 H "H5'" . U A 1 13 ? -9.421 -2.239 13.033 1.00 0.00 ? 39 U A "H5'" 1
|
| 1343 |
+
ATOM 399 H "H5''" . U A 1 13 ? -9.875 -1.793 11.373 1.00 0.00 ? 39 U A "H5''" 1
|
| 1344 |
+
ATOM 400 H "H4'" . U A 1 13 ? -9.168 0.162 12.766 1.00 0.00 ? 39 U A "H4'" 1
|
| 1345 |
+
ATOM 401 H "H3'" . U A 1 13 ? -7.357 -0.409 10.355 1.00 0.00 ? 39 U A "H3'" 1
|
| 1346 |
+
ATOM 402 H "H2'" . U A 1 13 ? -6.288 1.484 10.891 1.00 0.00 ? 39 U A "H2'" 1
|
| 1347 |
+
ATOM 403 H "HO2'" . U A 1 13 ? -8.415 2.098 12.713 1.00 0.00 ? 39 U A "HO2'" 1
|
| 1348 |
+
ATOM 404 H "H1'" . U A 1 13 ? -6.397 1.208 13.641 1.00 0.00 ? 39 U A "H1'" 1
|
| 1349 |
+
ATOM 405 H H3 . U A 1 13 ? -2.043 1.262 12.085 1.00 0.00 ? 39 U A H3 1
|
| 1350 |
+
ATOM 406 H H5 . U A 1 13 ? -3.490 -2.564 11.081 1.00 0.00 ? 39 U A H5 1
|
| 1351 |
+
ATOM 407 H H6 . U A 1 13 ? -5.665 -1.808 11.634 1.00 0.00 ? 39 U A H6 1
|
| 1352 |
+
ATOM 408 P P . C A 1 14 ? -8.860 1.323 8.765 1.00 0.00 ? 40 C A P 1
|
| 1353 |
+
ATOM 409 O OP1 . C A 1 14 ? -10.175 1.797 8.280 1.00 0.00 ? 40 C A OP1 1
|
| 1354 |
+
ATOM 410 O OP2 . C A 1 14 ? -8.134 0.281 8.003 1.00 0.00 ? 40 C A OP2 1
|
| 1355 |
+
ATOM 411 O "O5'" . C A 1 14 ? -7.893 2.606 8.897 1.00 0.00 ? 40 C A "O5'" 1
|
| 1356 |
+
ATOM 412 C "C5'" . C A 1 14 ? -8.409 3.871 9.247 1.00 0.00 ? 40 C A "C5'" 1
|
| 1357 |
+
ATOM 413 C "C4'" . C A 1 14 ? -7.270 4.880 9.390 1.00 0.00 ? 40 C A "C4'" 1
|
| 1358 |
+
ATOM 414 O "O4'" . C A 1 14 ? -6.249 4.380 10.236 1.00 0.00 ? 40 C A "O4'" 1
|
| 1359 |
+
ATOM 415 C "C3'" . C A 1 14 ? -6.565 5.207 8.078 1.00 0.00 ? 40 C A "C3'" 1
|
| 1360 |
+
ATOM 416 O "O3'" . C A 1 14 ? -7.302 6.094 7.259 1.00 0.00 ? 40 C A "O3'" 1
|
| 1361 |
+
ATOM 417 C "C2'" . C A 1 14 ? -5.311 5.854 8.641 1.00 0.00 ? 40 C A "C2'" 1
|
| 1362 |
+
ATOM 418 O "O2'" . C A 1 14 ? -5.588 7.169 9.068 1.00 0.00 ? 40 C A "O2'" 1
|
| 1363 |
+
ATOM 419 C "C1'" . C A 1 14 ? -5.021 4.994 9.867 1.00 0.00 ? 40 C A "C1'" 1
|
| 1364 |
+
ATOM 420 N N1 . C A 1 14 ? -3.968 3.997 9.526 1.00 0.00 ? 40 C A N1 1
|
| 1365 |
+
ATOM 421 C C2 . C A 1 14 ? -2.640 4.407 9.619 1.00 0.00 ? 40 C A C2 1
|
| 1366 |
+
ATOM 422 O O2 . C A 1 14 ? -2.349 5.545 9.981 1.00 0.00 ? 40 C A O2 1
|
| 1367 |
+
ATOM 423 N N3 . C A 1 14 ? -1.662 3.524 9.290 1.00 0.00 ? 40 C A N3 1
|
| 1368 |
+
ATOM 424 C C4 . C A 1 14 ? -1.952 2.298 8.844 1.00 0.00 ? 40 C A C4 1
|
| 1369 |
+
ATOM 425 N N4 . C A 1 14 ? -0.950 1.459 8.547 1.00 0.00 ? 40 C A N4 1
|
| 1370 |
+
ATOM 426 C C5 . C A 1 14 ? -3.310 1.881 8.673 1.00 0.00 ? 40 C A C5 1
|
| 1371 |
+
ATOM 427 C C6 . C A 1 14 ? -4.275 2.753 9.032 1.00 0.00 ? 40 C A C6 1
|
| 1372 |
+
ATOM 428 H "H5'" . C A 1 14 ? -8.943 3.795 10.194 1.00 0.00 ? 40 C A "H5'" 1
|
| 1373 |
+
ATOM 429 H "H5''" . C A 1 14 ? -9.101 4.210 8.476 1.00 0.00 ? 40 C A "H5''" 1
|
| 1374 |
+
ATOM 430 H "H4'" . C A 1 14 ? -7.667 5.801 9.817 1.00 0.00 ? 40 C A "H4'" 1
|
| 1375 |
+
ATOM 431 H "H3'" . C A 1 14 ? -6.308 4.292 7.546 1.00 0.00 ? 40 C A "H3'" 1
|
| 1376 |
+
ATOM 432 H "H2'" . C A 1 14 ? -4.487 5.841 7.934 1.00 0.00 ? 40 C A "H2'" 1
|
| 1377 |
+
ATOM 433 H "HO2'" . C A 1 14 ? -5.925 7.668 8.321 1.00 0.00 ? 40 C A "HO2'" 1
|
| 1378 |
+
ATOM 434 H "H1'" . C A 1 14 ? -4.708 5.645 10.685 1.00 0.00 ? 40 C A "H1'" 1
|
| 1379 |
+
ATOM 435 H H41 . C A 1 14 ? 0.010 1.751 8.670 1.00 0.00 ? 40 C A H41 1
|
| 1380 |
+
ATOM 436 H H42 . C A 1 14 ? -1.155 0.531 8.204 1.00 0.00 ? 40 C A H42 1
|
| 1381 |
+
ATOM 437 H H5 . C A 1 14 ? -3.586 0.922 8.263 1.00 0.00 ? 40 C A H5 1
|
| 1382 |
+
ATOM 438 H H6 . C A 1 14 ? -5.297 2.424 8.906 1.00 0.00 ? 40 C A H6 1
|
| 1383 |
+
ATOM 439 P P . U A 1 15 ? -7.013 6.211 5.671 1.00 0.00 ? 41 U A P 1
|
| 1384 |
+
ATOM 440 O OP1 . U A 1 15 ? -7.981 7.176 5.104 1.00 0.00 ? 41 U A OP1 1
|
| 1385 |
+
ATOM 441 O OP2 . U A 1 15 ? -6.945 4.840 5.118 1.00 0.00 ? 41 U A OP2 1
|
| 1386 |
+
ATOM 442 O "O5'" . U A 1 15 ? -5.544 6.865 5.553 1.00 0.00 ? 41 U A "O5'" 1
|
| 1387 |
+
ATOM 443 C "C5'" . U A 1 15 ? -5.370 8.265 5.585 1.00 0.00 ? 41 U A "C5'" 1
|
| 1388 |
+
ATOM 444 C "C4'" . U A 1 15 ? -3.893 8.644 5.459 1.00 0.00 ? 41 U A "C4'" 1
|
| 1389 |
+
ATOM 445 O "O4'" . U A 1 15 ? -3.105 8.006 6.449 1.00 0.00 ? 41 U A "O4'" 1
|
| 1390 |
+
ATOM 446 C "C3'" . U A 1 15 ? -3.252 8.264 4.127 1.00 0.00 ? 41 U A "C3'" 1
|
| 1391 |
+
ATOM 447 O "O3'" . U A 1 15 ? -3.632 9.151 3.092 1.00 0.00 ? 41 U A "O3'" 1
|
| 1392 |
+
ATOM 448 C "C2'" . U A 1 15 ? -1.788 8.396 4.522 1.00 0.00 ? 41 U A "C2'" 1
|
| 1393 |
+
ATOM 449 O "O2'" . U A 1 15 ? -1.393 9.750 4.555 1.00 0.00 ? 41 U A "O2'" 1
|
| 1394 |
+
ATOM 450 C "C1'" . U A 1 15 ? -1.784 7.851 5.947 1.00 0.00 ? 41 U A "C1'" 1
|
| 1395 |
+
ATOM 451 N N1 . U A 1 15 ? -1.357 6.424 5.944 1.00 0.00 ? 41 U A N1 1
|
| 1396 |
+
ATOM 452 C C2 . U A 1 15 ? 0.007 6.155 5.988 1.00 0.00 ? 41 U A C2 1
|
| 1397 |
+
ATOM 453 O O2 . U A 1 15 ? 0.870 7.031 5.938 1.00 0.00 ? 41 U A O2 1
|
| 1398 |
+
ATOM 454 N N3 . U A 1 15 ? 0.364 4.819 6.088 1.00 0.00 ? 41 U A N3 1
|
| 1399 |
+
ATOM 455 C C4 . U A 1 15 ? -0.497 3.735 6.086 1.00 0.00 ? 41 U A C4 1
|
| 1400 |
+
ATOM 456 O O4 . U A 1 15 ? -0.069 2.588 6.189 1.00 0.00 ? 41 U A O4 1
|
| 1401 |
+
ATOM 457 C C5 . U A 1 15 ? -1.883 4.098 5.941 1.00 0.00 ? 41 U A C5 1
|
| 1402 |
+
ATOM 458 C C6 . U A 1 15 ? -2.261 5.392 5.876 1.00 0.00 ? 41 U A C6 1
|
| 1403 |
+
ATOM 459 H "H5'" . U A 1 15 ? -5.759 8.657 6.524 1.00 0.00 ? 41 U A "H5'" 1
|
| 1404 |
+
ATOM 460 H "H5''" . U A 1 15 ? -5.923 8.713 4.760 1.00 0.00 ? 41 U A "H5''" 1
|
| 1405 |
+
ATOM 461 H "H4'" . U A 1 15 ? -3.807 9.722 5.586 1.00 0.00 ? 41 U A "H4'" 1
|
| 1406 |
+
ATOM 462 H "H3'" . U A 1 15 ? -3.460 7.228 3.862 1.00 0.00 ? 41 U A "H3'" 1
|
| 1407 |
+
ATOM 463 H "H2'" . U A 1 15 ? -1.127 7.825 3.880 1.00 0.00 ? 41 U A "H2'" 1
|
| 1408 |
+
ATOM 464 H "HO2'" . U A 1 15 ? -1.840 10.189 5.281 1.00 0.00 ? 41 U A "HO2'" 1
|
| 1409 |
+
ATOM 465 H "H1'" . U A 1 15 ? -1.111 8.457 6.555 1.00 0.00 ? 41 U A "H1'" 1
|
| 1410 |
+
ATOM 466 H H3 . U A 1 15 ? 1.352 4.616 6.141 1.00 0.00 ? 41 U A H3 1
|
| 1411 |
+
ATOM 467 H H5 . U A 1 15 ? -2.632 3.322 5.886 1.00 0.00 ? 41 U A H5 1
|
| 1412 |
+
ATOM 468 H H6 . U A 1 15 ? -3.315 5.571 5.752 1.00 0.00 ? 41 U A H6 1
|
| 1413 |
+
ATOM 469 P P . G A 1 16 ? -3.381 8.798 1.534 1.00 0.00 ? 42 G A P 1
|
| 1414 |
+
ATOM 470 O OP1 . G A 1 16 ? -4.041 9.840 0.717 1.00 0.00 ? 42 G A OP1 1
|
| 1415 |
+
ATOM 471 O OP2 . G A 1 16 ? -3.720 7.374 1.316 1.00 0.00 ? 42 G A OP2 1
|
| 1416 |
+
ATOM 472 O "O5'" . G A 1 16 ? -1.792 8.969 1.358 1.00 0.00 ? 42 G A "O5'" 1
|
| 1417 |
+
ATOM 473 C "C5'" . G A 1 16 ? -1.214 10.253 1.339 1.00 0.00 ? 42 G A "C5'" 1
|
| 1418 |
+
ATOM 474 C "C4'" . G A 1 16 ? 0.300 10.121 1.459 1.00 0.00 ? 42 G A "C4'" 1
|
| 1419 |
+
ATOM 475 O "O4'" . G A 1 16 ? 0.638 9.103 2.378 1.00 0.00 ? 42 G A "O4'" 1
|
| 1420 |
+
ATOM 476 C "C3'" . G A 1 16 ? 0.996 9.760 0.154 1.00 0.00 ? 42 G A "C3'" 1
|
| 1421 |
+
ATOM 477 O "O3'" . G A 1 16 ? 1.149 10.914 -0.642 1.00 0.00 ? 42 G A "O3'" 1
|
| 1422 |
+
ATOM 478 C "C2'" . G A 1 16 ? 2.321 9.251 0.700 1.00 0.00 ? 42 G A "C2'" 1
|
| 1423 |
+
ATOM 479 O "O2'" . G A 1 16 ? 3.165 10.332 1.031 1.00 0.00 ? 42 G A "O2'" 1
|
| 1424 |
+
ATOM 480 C "C1'" . G A 1 16 ? 1.876 8.542 1.979 1.00 0.00 ? 42 G A "C1'" 1
|
| 1425 |
+
ATOM 481 N N9 . G A 1 16 ? 1.729 7.099 1.735 1.00 0.00 ? 42 G A N9 1
|
| 1426 |
+
ATOM 482 C C8 . G A 1 16 ? 0.588 6.347 1.693 1.00 0.00 ? 42 G A C8 1
|
| 1427 |
+
ATOM 483 N N7 . G A 1 16 ? 0.800 5.068 1.562 1.00 0.00 ? 42 G A N7 1
|
| 1428 |
+
ATOM 484 C C5 . G A 1 16 ? 2.187 4.966 1.511 1.00 0.00 ? 42 G A C5 1
|
| 1429 |
+
ATOM 485 C C6 . G A 1 16 ? 3.010 3.815 1.405 1.00 0.00 ? 42 G A C6 1
|
| 1430 |
+
ATOM 486 O O6 . G A 1 16 ? 2.668 2.636 1.350 1.00 0.00 ? 42 G A O6 1
|
| 1431 |
+
ATOM 487 N N1 . G A 1 16 ? 4.354 4.156 1.375 1.00 0.00 ? 42 G A N1 1
|
| 1432 |
+
ATOM 488 C C2 . G A 1 16 ? 4.854 5.437 1.471 1.00 0.00 ? 42 G A C2 1
|
| 1433 |
+
ATOM 489 N N2 . G A 1 16 ? 6.187 5.567 1.439 1.00 0.00 ? 42 G A N2 1
|
| 1434 |
+
ATOM 490 N N3 . G A 1 16 ? 4.080 6.520 1.598 1.00 0.00 ? 42 G A N3 1
|
| 1435 |
+
ATOM 491 C C4 . G A 1 16 ? 2.763 6.206 1.606 1.00 0.00 ? 42 G A C4 1
|
| 1436 |
+
ATOM 492 H "H5'" . G A 1 16 ? -1.589 10.821 2.189 1.00 0.00 ? 42 G A "H5'" 1
|
| 1437 |
+
ATOM 493 H "H5''" . G A 1 16 ? -1.475 10.775 0.419 1.00 0.00 ? 42 G A "H5''" 1
|
| 1438 |
+
ATOM 494 H "H4'" . G A 1 16 ? 0.710 11.067 1.809 1.00 0.00 ? 42 G A "H4'" 1
|
| 1439 |
+
ATOM 495 H "H3'" . G A 1 16 ? 0.493 8.952 -0.385 1.00 0.00 ? 42 G A "H3'" 1
|
| 1440 |
+
ATOM 496 H "H2'" . G A 1 16 ? 2.816 8.574 0.005 1.00 0.00 ? 42 G A "H2'" 1
|
| 1441 |
+
ATOM 497 H "HO2'" . G A 1 16 ? 2.755 10.844 1.731 1.00 0.00 ? 42 G A "HO2'" 1
|
| 1442 |
+
ATOM 498 H "H1'" . G A 1 16 ? 2.598 8.655 2.778 1.00 0.00 ? 42 G A "H1'" 1
|
| 1443 |
+
ATOM 499 H H8 . G A 1 16 ? -0.391 6.786 1.777 1.00 0.00 ? 42 G A H8 1
|
| 1444 |
+
ATOM 500 H H1 . G A 1 16 ? 5.014 3.396 1.290 1.00 0.00 ? 42 G A H1 1
|
| 1445 |
+
ATOM 501 H H21 . G A 1 16 ? 6.771 4.748 1.345 1.00 0.00 ? 42 G A H21 1
|
| 1446 |
+
ATOM 502 H H22 . G A 1 16 ? 6.608 6.482 1.509 1.00 0.00 ? 42 G A H22 1
|
| 1447 |
+
ATOM 503 P P . A A 1 17 ? 1.076 10.819 -2.243 1.00 0.00 ? 43 A A P 1
|
| 1448 |
+
ATOM 504 O OP1 . A A 1 17 ? 1.351 12.159 -2.807 1.00 0.00 ? 43 A A OP1 1
|
| 1449 |
+
ATOM 505 O OP2 . A A 1 17 ? -0.169 10.106 -2.606 1.00 0.00 ? 43 A A OP2 1
|
| 1450 |
+
ATOM 506 O "O5'" . A A 1 17 ? 2.320 9.864 -2.578 1.00 0.00 ? 43 A A "O5'" 1
|
| 1451 |
+
ATOM 507 C "C5'" . A A 1 17 ? 3.633 10.374 -2.641 1.00 0.00 ? 43 A A "C5'" 1
|
| 1452 |
+
ATOM 508 C "C4'" . A A 1 17 ? 4.606 9.236 -2.945 1.00 0.00 ? 43 A A "C4'" 1
|
| 1453 |
+
ATOM 509 O "O4'" . A A 1 17 ? 4.588 8.273 -1.909 1.00 0.00 ? 43 A A "O4'" 1
|
| 1454 |
+
ATOM 510 C "C3'" . A A 1 17 ? 4.292 8.497 -4.242 1.00 0.00 ? 43 A A "C3'" 1
|
| 1455 |
+
ATOM 511 O "O3'" . A A 1 17 ? 4.896 9.118 -5.355 1.00 0.00 ? 43 A A "O3'" 1
|
| 1456 |
+
ATOM 512 C "C2'" . A A 1 17 ? 4.901 7.134 -3.980 1.00 0.00 ? 43 A A "C2'" 1
|
| 1457 |
+
ATOM 513 O "O2'" . A A 1 17 ? 6.213 7.063 -4.489 1.00 0.00 ? 43 A A "O2'" 1
|
| 1458 |
+
ATOM 514 C "C1'" . A A 1 17 ? 4.908 7.010 -2.464 1.00 0.00 ? 43 A A "C1'" 1
|
| 1459 |
+
ATOM 515 N N9 . A A 1 17 ? 3.952 5.975 -2.092 1.00 0.00 ? 43 A A N9 1
|
| 1460 |
+
ATOM 516 C C8 . A A 1 17 ? 2.617 6.120 -2.129 1.00 0.00 ? 43 A A C8 1
|
| 1461 |
+
ATOM 517 N N7 . A A 1 17 ? 1.940 5.029 -1.904 1.00 0.00 ? 43 A A N7 1
|
| 1462 |
+
ATOM 518 C C5 . A A 1 17 ? 2.940 4.074 -1.713 1.00 0.00 ? 43 A A C5 1
|
| 1463 |
+
ATOM 519 C C6 . A A 1 17 ? 2.908 2.691 -1.471 1.00 0.00 ? 43 A A C6 1
|
| 1464 |
+
ATOM 520 N N6 . A A 1 17 ? 1.775 1.986 -1.349 1.00 0.00 ? 43 A A N6 1
|
| 1465 |
+
ATOM 521 N N1 . A A 1 17 ? 4.083 2.054 -1.365 1.00 0.00 ? 43 A A N1 1
|
| 1466 |
+
ATOM 522 C C2 . A A 1 17 ? 5.210 2.739 -1.498 1.00 0.00 ? 43 A A C2 1
|
| 1467 |
+
ATOM 523 N N3 . A A 1 17 ? 5.379 4.030 -1.737 1.00 0.00 ? 43 A A N3 1
|
| 1468 |
+
ATOM 524 C C4 . A A 1 17 ? 4.179 4.647 -1.833 1.00 0.00 ? 43 A A C4 1
|
| 1469 |
+
ATOM 525 H "H5'" . A A 1 17 ? 3.893 10.829 -1.685 1.00 0.00 ? 43 A A "H5'" 1
|
| 1470 |
+
ATOM 526 H "H5''" . A A 1 17 ? 3.692 11.124 -3.429 1.00 0.00 ? 43 A A "H5''" 1
|
| 1471 |
+
ATOM 527 H "H4'" . A A 1 17 ? 5.620 9.631 -3.018 1.00 0.00 ? 43 A A "H4'" 1
|
| 1472 |
+
ATOM 528 H "H3'" . A A 1 17 ? 3.224 8.367 -4.410 1.00 0.00 ? 43 A A "H3'" 1
|
| 1473 |
+
ATOM 529 H "HO3'" . A A 1 17 ? 5.839 9.186 -5.191 1.00 0.00 ? 43 A A "HO3'" 1
|
| 1474 |
+
ATOM 530 H "H2'" . A A 1 17 ? 4.232 6.370 -4.377 1.00 0.00 ? 43 A A "H2'" 1
|
| 1475 |
+
ATOM 531 H "HO2'" . A A 1 17 ? 6.579 6.203 -4.269 1.00 0.00 ? 43 A A "HO2'" 1
|
| 1476 |
+
ATOM 532 H "H1'" . A A 1 17 ? 5.847 6.681 -2.090 1.00 0.00 ? 43 A A "H1'" 1
|
| 1477 |
+
ATOM 533 H H8 . A A 1 17 ? 2.293 7.109 -2.371 1.00 0.00 ? 43 A A H8 1
|
| 1478 |
+
ATOM 534 H H61 . A A 1 17 ? 1.817 0.990 -1.184 1.00 0.00 ? 43 A A H61 1
|
| 1479 |
+
ATOM 535 H H62 . A A 1 17 ? 0.880 2.449 -1.427 1.00 0.00 ? 43 A A H62 1
|
| 1480 |
+
ATOM 536 H H2 . A A 1 17 ? 6.118 2.160 -1.403 1.00 0.00 ? 43 A A H2 1
|
| 1481 |
+
#
|
structures/1ik1.cif
ADDED
|
@@ -0,0 +1,1349 @@
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|
| 1 |
+
data_1IK1
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1IK1
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.391
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 1IK1 pdb_00001ik1 10.2210/pdb1ik1/pdb
|
| 15 |
+
RCSB RCSB013352 ? ?
|
| 16 |
+
WWPDB D_1000013352 ? ?
|
| 17 |
+
#
|
| 18 |
+
loop_
|
| 19 |
+
_pdbx_audit_revision_history.ordinal
|
| 20 |
+
_pdbx_audit_revision_history.data_content_type
|
| 21 |
+
_pdbx_audit_revision_history.major_revision
|
| 22 |
+
_pdbx_audit_revision_history.minor_revision
|
| 23 |
+
_pdbx_audit_revision_history.revision_date
|
| 24 |
+
1 'Structure model' 1 0 2001-07-18
|
| 25 |
+
2 'Structure model' 1 1 2008-04-27
|
| 26 |
+
3 'Structure model' 1 2 2011-07-13
|
| 27 |
+
4 'Structure model' 1 3 2018-01-24
|
| 28 |
+
5 'Structure model' 1 4 2018-01-31
|
| 29 |
+
6 'Structure model' 1 5 2024-05-01
|
| 30 |
+
#
|
| 31 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 32 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 33 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 34 |
+
_pdbx_audit_revision_details.provider repository
|
| 35 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 36 |
+
_pdbx_audit_revision_details.description ?
|
| 37 |
+
_pdbx_audit_revision_details.details ?
|
| 38 |
+
#
|
| 39 |
+
loop_
|
| 40 |
+
_pdbx_audit_revision_group.ordinal
|
| 41 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 42 |
+
_pdbx_audit_revision_group.data_content_type
|
| 43 |
+
_pdbx_audit_revision_group.group
|
| 44 |
+
1 2 'Structure model' 'Version format compliance'
|
| 45 |
+
2 3 'Structure model' 'Version format compliance'
|
| 46 |
+
3 4 'Structure model' 'Database references'
|
| 47 |
+
4 4 'Structure model' 'Derived calculations'
|
| 48 |
+
5 5 'Structure model' 'Database references'
|
| 49 |
+
6 6 'Structure model' 'Data collection'
|
| 50 |
+
7 6 'Structure model' 'Database references'
|
| 51 |
+
#
|
| 52 |
+
loop_
|
| 53 |
+
_pdbx_audit_revision_category.ordinal
|
| 54 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 55 |
+
_pdbx_audit_revision_category.data_content_type
|
| 56 |
+
_pdbx_audit_revision_category.category
|
| 57 |
+
1 4 'Structure model' citation_author
|
| 58 |
+
2 4 'Structure model' pdbx_struct_assembly
|
| 59 |
+
3 4 'Structure model' pdbx_struct_oper_list
|
| 60 |
+
4 5 'Structure model' citation_author
|
| 61 |
+
5 6 'Structure model' chem_comp_atom
|
| 62 |
+
6 6 'Structure model' chem_comp_bond
|
| 63 |
+
7 6 'Structure model' database_2
|
| 64 |
+
8 6 'Structure model' pdbx_nmr_software
|
| 65 |
+
#
|
| 66 |
+
loop_
|
| 67 |
+
_pdbx_audit_revision_item.ordinal
|
| 68 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 69 |
+
_pdbx_audit_revision_item.data_content_type
|
| 70 |
+
_pdbx_audit_revision_item.item
|
| 71 |
+
1 4 'Structure model' '_citation_author.name'
|
| 72 |
+
2 5 'Structure model' '_citation_author.name'
|
| 73 |
+
3 6 'Structure model' '_database_2.pdbx_DOI'
|
| 74 |
+
4 6 'Structure model' '_database_2.pdbx_database_accession'
|
| 75 |
+
5 6 'Structure model' '_pdbx_nmr_software.name'
|
| 76 |
+
#
|
| 77 |
+
_pdbx_database_status.status_code REL
|
| 78 |
+
_pdbx_database_status.entry_id 1IK1
|
| 79 |
+
_pdbx_database_status.recvd_initial_deposition_date 2001-05-01
|
| 80 |
+
_pdbx_database_status.deposit_site RCSB
|
| 81 |
+
_pdbx_database_status.process_site RCSB
|
| 82 |
+
_pdbx_database_status.SG_entry .
|
| 83 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 84 |
+
_pdbx_database_status.status_code_mr ?
|
| 85 |
+
_pdbx_database_status.status_code_sf ?
|
| 86 |
+
_pdbx_database_status.status_code_cs ?
|
| 87 |
+
_pdbx_database_status.methods_development_category ?
|
| 88 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 89 |
+
#
|
| 90 |
+
loop_
|
| 91 |
+
_audit_author.name
|
| 92 |
+
_audit_author.pdbx_ordinal
|
| 93 |
+
'Huang, H.' 1
|
| 94 |
+
'Alexandrov, A.' 2
|
| 95 |
+
'Chen, X.' 3
|
| 96 |
+
'Barnes III, T.W.' 4
|
| 97 |
+
'Zhang, H.' 5
|
| 98 |
+
'Dutta, K.' 6
|
| 99 |
+
'Pascal, S.M.' 7
|
| 100 |
+
#
|
| 101 |
+
_citation.id primary
|
| 102 |
+
_citation.title 'Structure of an RNA hairpin from HRV-14.'
|
| 103 |
+
_citation.journal_abbrev Biochemistry
|
| 104 |
+
_citation.journal_volume 40
|
| 105 |
+
_citation.page_first 8055
|
| 106 |
+
_citation.page_last 8064
|
| 107 |
+
_citation.year 2001
|
| 108 |
+
_citation.journal_id_ASTM BICHAW
|
| 109 |
+
_citation.country US
|
| 110 |
+
_citation.journal_id_ISSN 0006-2960
|
| 111 |
+
_citation.journal_id_CSD 0033
|
| 112 |
+
_citation.book_publisher ?
|
| 113 |
+
_citation.pdbx_database_id_PubMed 11434774
|
| 114 |
+
_citation.pdbx_database_id_DOI 10.1021/bi010572b
|
| 115 |
+
#
|
| 116 |
+
loop_
|
| 117 |
+
_citation_author.citation_id
|
| 118 |
+
_citation_author.name
|
| 119 |
+
_citation_author.ordinal
|
| 120 |
+
_citation_author.identifier_ORCID
|
| 121 |
+
primary 'Huang, H.' 1 ?
|
| 122 |
+
primary 'Alexandrov, A.' 2 ?
|
| 123 |
+
primary 'Chen, X.' 3 ?
|
| 124 |
+
primary 'Barnes III, T.W.' 4 ?
|
| 125 |
+
primary 'Zhang, H.' 5 ?
|
| 126 |
+
primary 'Dutta, K.' 6 ?
|
| 127 |
+
primary 'Pascal, S.M.' 7 ?
|
| 128 |
+
#
|
| 129 |
+
_entity.id 1
|
| 130 |
+
_entity.type polymer
|
| 131 |
+
_entity.src_method syn
|
| 132 |
+
_entity.pdbx_description "5'-R(*GP*GP*UP*AP*CP*UP*AP*UP*GP*UP*AP*CP*CP*A)-3'"
|
| 133 |
+
_entity.formula_weight 4447.691
|
| 134 |
+
_entity.pdbx_number_of_molecules 1
|
| 135 |
+
_entity.pdbx_ec ?
|
| 136 |
+
_entity.pdbx_mutation ?
|
| 137 |
+
_entity.pdbx_fragment ?
|
| 138 |
+
_entity.details 'HRV-14 stem loop d hairpin'
|
| 139 |
+
#
|
| 140 |
+
_entity_poly.entity_id 1
|
| 141 |
+
_entity_poly.type polyribonucleotide
|
| 142 |
+
_entity_poly.nstd_linkage no
|
| 143 |
+
_entity_poly.nstd_monomer no
|
| 144 |
+
_entity_poly.pdbx_seq_one_letter_code GGUACUAUGUACCA
|
| 145 |
+
_entity_poly.pdbx_seq_one_letter_code_can GGUACUAUGUACCA
|
| 146 |
+
_entity_poly.pdbx_strand_id A
|
| 147 |
+
_entity_poly.pdbx_target_identifier ?
|
| 148 |
+
#
|
| 149 |
+
loop_
|
| 150 |
+
_entity_poly_seq.entity_id
|
| 151 |
+
_entity_poly_seq.num
|
| 152 |
+
_entity_poly_seq.mon_id
|
| 153 |
+
_entity_poly_seq.hetero
|
| 154 |
+
1 1 G n
|
| 155 |
+
1 2 G n
|
| 156 |
+
1 3 U n
|
| 157 |
+
1 4 A n
|
| 158 |
+
1 5 C n
|
| 159 |
+
1 6 U n
|
| 160 |
+
1 7 A n
|
| 161 |
+
1 8 U n
|
| 162 |
+
1 9 G n
|
| 163 |
+
1 10 U n
|
| 164 |
+
1 11 A n
|
| 165 |
+
1 12 C n
|
| 166 |
+
1 13 C n
|
| 167 |
+
1 14 A n
|
| 168 |
+
#
|
| 169 |
+
loop_
|
| 170 |
+
_chem_comp.id
|
| 171 |
+
_chem_comp.type
|
| 172 |
+
_chem_comp.mon_nstd_flag
|
| 173 |
+
_chem_comp.name
|
| 174 |
+
_chem_comp.pdbx_synonyms
|
| 175 |
+
_chem_comp.formula
|
| 176 |
+
_chem_comp.formula_weight
|
| 177 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 178 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 179 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 180 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 181 |
+
#
|
| 182 |
+
loop_
|
| 183 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 184 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 185 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 186 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 187 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 188 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 189 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 190 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 191 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 192 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 193 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 194 |
+
_pdbx_poly_seq_scheme.hetero
|
| 195 |
+
A 1 1 G 1 1 1 G G A . n
|
| 196 |
+
A 1 2 G 2 2 2 G G A . n
|
| 197 |
+
A 1 3 U 3 3 3 U U A . n
|
| 198 |
+
A 1 4 A 4 4 4 A A A . n
|
| 199 |
+
A 1 5 C 5 5 5 C C A . n
|
| 200 |
+
A 1 6 U 6 6 6 U U A . n
|
| 201 |
+
A 1 7 A 7 7 7 A A A . n
|
| 202 |
+
A 1 8 U 8 8 8 U U A . n
|
| 203 |
+
A 1 9 G 9 9 9 G G A . n
|
| 204 |
+
A 1 10 U 10 10 10 U U A . n
|
| 205 |
+
A 1 11 A 11 11 11 A A A . n
|
| 206 |
+
A 1 12 C 12 12 12 C C A . n
|
| 207 |
+
A 1 13 C 13 13 13 C C A . n
|
| 208 |
+
A 1 14 A 14 14 14 A A A . n
|
| 209 |
+
#
|
| 210 |
+
_cell.entry_id 1IK1
|
| 211 |
+
_cell.length_a ?
|
| 212 |
+
_cell.length_b ?
|
| 213 |
+
_cell.length_c ?
|
| 214 |
+
_cell.angle_alpha ?
|
| 215 |
+
_cell.angle_beta ?
|
| 216 |
+
_cell.angle_gamma ?
|
| 217 |
+
_cell.Z_PDB 1
|
| 218 |
+
_cell.pdbx_unique_axis ?
|
| 219 |
+
#
|
| 220 |
+
_exptl.entry_id 1IK1
|
| 221 |
+
_exptl.method 'SOLUTION NMR'
|
| 222 |
+
_exptl.crystals_number ?
|
| 223 |
+
#
|
| 224 |
+
_database_PDB_matrix.entry_id 1IK1
|
| 225 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 226 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 227 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 228 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 229 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 230 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 231 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 232 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 233 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 234 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 235 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 236 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 237 |
+
#
|
| 238 |
+
_struct.entry_id 1IK1
|
| 239 |
+
_struct.title 'Solution Structure of an RNA Hairpin from HRV-14'
|
| 240 |
+
_struct.pdbx_model_details ?
|
| 241 |
+
_struct.pdbx_CASP_flag ?
|
| 242 |
+
_struct.pdbx_model_type_details ?
|
| 243 |
+
#
|
| 244 |
+
_struct_keywords.entry_id 1IK1
|
| 245 |
+
_struct_keywords.pdbx_keywords RNA
|
| 246 |
+
_struct_keywords.text 'A form helix, triloop, RNA'
|
| 247 |
+
#
|
| 248 |
+
_struct_asym.id A
|
| 249 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag N
|
| 250 |
+
_struct_asym.pdbx_modified N
|
| 251 |
+
_struct_asym.entity_id 1
|
| 252 |
+
_struct_asym.details ?
|
| 253 |
+
#
|
| 254 |
+
_struct_ref.id 1
|
| 255 |
+
_struct_ref.db_name GB
|
| 256 |
+
_struct_ref.db_code NC_001490
|
| 257 |
+
_struct_ref.entity_id 1
|
| 258 |
+
_struct_ref.pdbx_seq_one_letter_code GGUACUAUGUACC
|
| 259 |
+
_struct_ref.pdbx_align_begin 53
|
| 260 |
+
_struct_ref.pdbx_db_accession 9626735
|
| 261 |
+
_struct_ref.pdbx_db_isoform ?
|
| 262 |
+
#
|
| 263 |
+
_struct_ref_seq.align_id 1
|
| 264 |
+
_struct_ref_seq.ref_id 1
|
| 265 |
+
_struct_ref_seq.pdbx_PDB_id_code 1IK1
|
| 266 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 267 |
+
_struct_ref_seq.seq_align_beg 1
|
| 268 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 269 |
+
_struct_ref_seq.seq_align_end 13
|
| 270 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 271 |
+
_struct_ref_seq.pdbx_db_accession 9626735
|
| 272 |
+
_struct_ref_seq.db_align_beg 53
|
| 273 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 274 |
+
_struct_ref_seq.db_align_end 65
|
| 275 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 276 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 277 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 13
|
| 278 |
+
#
|
| 279 |
+
_pdbx_struct_assembly.id 1
|
| 280 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 281 |
+
_pdbx_struct_assembly.method_details ?
|
| 282 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 283 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 284 |
+
#
|
| 285 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 286 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 287 |
+
_pdbx_struct_assembly_gen.asym_id_list A
|
| 288 |
+
#
|
| 289 |
+
_pdbx_struct_oper_list.id 1
|
| 290 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 291 |
+
_pdbx_struct_oper_list.name 1_555
|
| 292 |
+
_pdbx_struct_oper_list.symmetry_operation ?
|
| 293 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 294 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 295 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 296 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 297 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 298 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 299 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 300 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 301 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 302 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 303 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 304 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 305 |
+
#
|
| 306 |
+
_struct_biol.id 1
|
| 307 |
+
#
|
| 308 |
+
loop_
|
| 309 |
+
_struct_conn.id
|
| 310 |
+
_struct_conn.conn_type_id
|
| 311 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 312 |
+
_struct_conn.pdbx_PDB_id
|
| 313 |
+
_struct_conn.ptnr1_label_asym_id
|
| 314 |
+
_struct_conn.ptnr1_label_comp_id
|
| 315 |
+
_struct_conn.ptnr1_label_seq_id
|
| 316 |
+
_struct_conn.ptnr1_label_atom_id
|
| 317 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 318 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 319 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 320 |
+
_struct_conn.ptnr1_symmetry
|
| 321 |
+
_struct_conn.ptnr2_label_asym_id
|
| 322 |
+
_struct_conn.ptnr2_label_comp_id
|
| 323 |
+
_struct_conn.ptnr2_label_seq_id
|
| 324 |
+
_struct_conn.ptnr2_label_atom_id
|
| 325 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 326 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 327 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 328 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 329 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 330 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 331 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 332 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 333 |
+
_struct_conn.ptnr2_symmetry
|
| 334 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 335 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 336 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 337 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 338 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 339 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 340 |
+
_struct_conn.details
|
| 341 |
+
_struct_conn.pdbx_dist_value
|
| 342 |
+
_struct_conn.pdbx_value_order
|
| 343 |
+
_struct_conn.pdbx_role
|
| 344 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 13 N3 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 345 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 13 O2 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 346 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 13 N4 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 347 |
+
hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 348 |
+
hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 349 |
+
hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 350 |
+
hydrog7 hydrog ? ? A U 3 N3 ? ? ? 1_555 A A 11 N1 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 351 |
+
hydrog8 hydrog ? ? A U 3 O4 ? ? ? 1_555 A A 11 N6 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 352 |
+
hydrog9 hydrog ? ? A A 4 N1 ? ? ? 1_555 A U 10 N3 ? ? A A 4 A U 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 353 |
+
hydrog10 hydrog ? ? A A 4 N6 ? ? ? 1_555 A U 10 O4 ? ? A A 4 A U 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 354 |
+
hydrog11 hydrog ? ? A C 5 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 355 |
+
hydrog12 hydrog ? ? A C 5 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 356 |
+
hydrog13 hydrog ? ? A C 5 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 357 |
+
#
|
| 358 |
+
_struct_conn_type.id hydrog
|
| 359 |
+
_struct_conn_type.criteria ?
|
| 360 |
+
_struct_conn_type.reference ?
|
| 361 |
+
#
|
| 362 |
+
_pdbx_validate_rmsd_angle.id 1
|
| 363 |
+
_pdbx_validate_rmsd_angle.PDB_model_num 1
|
| 364 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1 "C5'"
|
| 365 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1 A
|
| 366 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1 C
|
| 367 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1 5
|
| 368 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
|
| 369 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1 ?
|
| 370 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2 "C4'"
|
| 371 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2 A
|
| 372 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2 C
|
| 373 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2 5
|
| 374 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
|
| 375 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2 ?
|
| 376 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3 "O4'"
|
| 377 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3 A
|
| 378 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3 C
|
| 379 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3 5
|
| 380 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
|
| 381 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3 ?
|
| 382 |
+
_pdbx_validate_rmsd_angle.angle_value 116.39
|
| 383 |
+
_pdbx_validate_rmsd_angle.angle_target_value 109.80
|
| 384 |
+
_pdbx_validate_rmsd_angle.angle_deviation 6.59
|
| 385 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation 0.90
|
| 386 |
+
_pdbx_validate_rmsd_angle.linker_flag N
|
| 387 |
+
#
|
| 388 |
+
_pdbx_validate_planes.id 1
|
| 389 |
+
_pdbx_validate_planes.PDB_model_num 1
|
| 390 |
+
_pdbx_validate_planes.auth_comp_id A
|
| 391 |
+
_pdbx_validate_planes.auth_asym_id A
|
| 392 |
+
_pdbx_validate_planes.auth_seq_id 7
|
| 393 |
+
_pdbx_validate_planes.PDB_ins_code ?
|
| 394 |
+
_pdbx_validate_planes.label_alt_id ?
|
| 395 |
+
_pdbx_validate_planes.rmsd 0.083
|
| 396 |
+
_pdbx_validate_planes.type 'SIDE CHAIN'
|
| 397 |
+
#
|
| 398 |
+
_pdbx_nmr_ensemble.entry_id 1IK1
|
| 399 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number ?
|
| 400 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 401 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria ?
|
| 402 |
+
#
|
| 403 |
+
loop_
|
| 404 |
+
_pdbx_nmr_sample_details.solution_id
|
| 405 |
+
_pdbx_nmr_sample_details.contents
|
| 406 |
+
_pdbx_nmr_sample_details.solvent_system
|
| 407 |
+
1 '1.5 mM RNA 14mer; 10 mM NaPi, 90 mM NaCl, 0.1 mM EDTA, pH 7.0' '100% D2O'
|
| 408 |
+
2 '0.5 mM RNA 14mer; 10 mM NaPi, 90 mM NaCl, 0.1 mM EDTA, pH 7.0' '90% H2O/10% D2O'
|
| 409 |
+
#
|
| 410 |
+
loop_
|
| 411 |
+
_pdbx_nmr_exptl_sample_conditions.conditions_id
|
| 412 |
+
_pdbx_nmr_exptl_sample_conditions.temperature
|
| 413 |
+
_pdbx_nmr_exptl_sample_conditions.pressure
|
| 414 |
+
_pdbx_nmr_exptl_sample_conditions.pH
|
| 415 |
+
_pdbx_nmr_exptl_sample_conditions.ionic_strength
|
| 416 |
+
_pdbx_nmr_exptl_sample_conditions.pressure_units
|
| 417 |
+
_pdbx_nmr_exptl_sample_conditions.temperature_units
|
| 418 |
+
1 298 ambient 7.0 '100 mM' ? K
|
| 419 |
+
2 273 ambient 7.0 '100 mM' ? K
|
| 420 |
+
#
|
| 421 |
+
loop_
|
| 422 |
+
_pdbx_nmr_exptl.experiment_id
|
| 423 |
+
_pdbx_nmr_exptl.solution_id
|
| 424 |
+
_pdbx_nmr_exptl.conditions_id
|
| 425 |
+
_pdbx_nmr_exptl.type
|
| 426 |
+
1 1 1 '2D NOESY'
|
| 427 |
+
2 1 1 DQF-COSY
|
| 428 |
+
3 1 1 TOCSY
|
| 429 |
+
4 1 1 1H,31P-Hetcor
|
| 430 |
+
5 1 1 1H,13C-HMQC
|
| 431 |
+
6 2 2 '2D NOESY'
|
| 432 |
+
#
|
| 433 |
+
_pdbx_nmr_refine.entry_id 1IK1
|
| 434 |
+
_pdbx_nmr_refine.method 'simulated annealing'
|
| 435 |
+
_pdbx_nmr_refine.details 'A total of 172 distance restraints and 40 dihedral angle restraints.'
|
| 436 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 437 |
+
#
|
| 438 |
+
loop_
|
| 439 |
+
_pdbx_nmr_software.name
|
| 440 |
+
_pdbx_nmr_software.version
|
| 441 |
+
_pdbx_nmr_software.classification
|
| 442 |
+
_pdbx_nmr_software.authors
|
| 443 |
+
_pdbx_nmr_software.ordinal
|
| 444 |
+
VNMR ? collection ? 1
|
| 445 |
+
NMRPipe ? processing ? 2
|
| 446 |
+
NMRDraw ? 'data analysis' ? 3
|
| 447 |
+
NMRView ? 'data analysis' ? 4
|
| 448 |
+
Discover ? 'structure solution' ? 5
|
| 449 |
+
Discover ? refinement ? 6
|
| 450 |
+
#
|
| 451 |
+
loop_
|
| 452 |
+
_chem_comp_atom.comp_id
|
| 453 |
+
_chem_comp_atom.atom_id
|
| 454 |
+
_chem_comp_atom.type_symbol
|
| 455 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 456 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 457 |
+
_chem_comp_atom.pdbx_ordinal
|
| 458 |
+
A OP3 O N N 1
|
| 459 |
+
A P P N N 2
|
| 460 |
+
A OP1 O N N 3
|
| 461 |
+
A OP2 O N N 4
|
| 462 |
+
A "O5'" O N N 5
|
| 463 |
+
A "C5'" C N N 6
|
| 464 |
+
A "C4'" C N R 7
|
| 465 |
+
A "O4'" O N N 8
|
| 466 |
+
A "C3'" C N S 9
|
| 467 |
+
A "O3'" O N N 10
|
| 468 |
+
A "C2'" C N R 11
|
| 469 |
+
A "O2'" O N N 12
|
| 470 |
+
A "C1'" C N R 13
|
| 471 |
+
A N9 N Y N 14
|
| 472 |
+
A C8 C Y N 15
|
| 473 |
+
A N7 N Y N 16
|
| 474 |
+
A C5 C Y N 17
|
| 475 |
+
A C6 C Y N 18
|
| 476 |
+
A N6 N N N 19
|
| 477 |
+
A N1 N Y N 20
|
| 478 |
+
A C2 C Y N 21
|
| 479 |
+
A N3 N Y N 22
|
| 480 |
+
A C4 C Y N 23
|
| 481 |
+
A HOP3 H N N 24
|
| 482 |
+
A HOP2 H N N 25
|
| 483 |
+
A "H5'" H N N 26
|
| 484 |
+
A "H5''" H N N 27
|
| 485 |
+
A "H4'" H N N 28
|
| 486 |
+
A "H3'" H N N 29
|
| 487 |
+
A "HO3'" H N N 30
|
| 488 |
+
A "H2'" H N N 31
|
| 489 |
+
A "HO2'" H N N 32
|
| 490 |
+
A "H1'" H N N 33
|
| 491 |
+
A H8 H N N 34
|
| 492 |
+
A H61 H N N 35
|
| 493 |
+
A H62 H N N 36
|
| 494 |
+
A H2 H N N 37
|
| 495 |
+
C OP3 O N N 38
|
| 496 |
+
C P P N N 39
|
| 497 |
+
C OP1 O N N 40
|
| 498 |
+
C OP2 O N N 41
|
| 499 |
+
C "O5'" O N N 42
|
| 500 |
+
C "C5'" C N N 43
|
| 501 |
+
C "C4'" C N R 44
|
| 502 |
+
C "O4'" O N N 45
|
| 503 |
+
C "C3'" C N S 46
|
| 504 |
+
C "O3'" O N N 47
|
| 505 |
+
C "C2'" C N R 48
|
| 506 |
+
C "O2'" O N N 49
|
| 507 |
+
C "C1'" C N R 50
|
| 508 |
+
C N1 N N N 51
|
| 509 |
+
C C2 C N N 52
|
| 510 |
+
C O2 O N N 53
|
| 511 |
+
C N3 N N N 54
|
| 512 |
+
C C4 C N N 55
|
| 513 |
+
C N4 N N N 56
|
| 514 |
+
C C5 C N N 57
|
| 515 |
+
C C6 C N N 58
|
| 516 |
+
C HOP3 H N N 59
|
| 517 |
+
C HOP2 H N N 60
|
| 518 |
+
C "H5'" H N N 61
|
| 519 |
+
C "H5''" H N N 62
|
| 520 |
+
C "H4'" H N N 63
|
| 521 |
+
C "H3'" H N N 64
|
| 522 |
+
C "HO3'" H N N 65
|
| 523 |
+
C "H2'" H N N 66
|
| 524 |
+
C "HO2'" H N N 67
|
| 525 |
+
C "H1'" H N N 68
|
| 526 |
+
C H41 H N N 69
|
| 527 |
+
C H42 H N N 70
|
| 528 |
+
C H5 H N N 71
|
| 529 |
+
C H6 H N N 72
|
| 530 |
+
G OP3 O N N 73
|
| 531 |
+
G P P N N 74
|
| 532 |
+
G OP1 O N N 75
|
| 533 |
+
G OP2 O N N 76
|
| 534 |
+
G "O5'" O N N 77
|
| 535 |
+
G "C5'" C N N 78
|
| 536 |
+
G "C4'" C N R 79
|
| 537 |
+
G "O4'" O N N 80
|
| 538 |
+
G "C3'" C N S 81
|
| 539 |
+
G "O3'" O N N 82
|
| 540 |
+
G "C2'" C N R 83
|
| 541 |
+
G "O2'" O N N 84
|
| 542 |
+
G "C1'" C N R 85
|
| 543 |
+
G N9 N Y N 86
|
| 544 |
+
G C8 C Y N 87
|
| 545 |
+
G N7 N Y N 88
|
| 546 |
+
G C5 C Y N 89
|
| 547 |
+
G C6 C N N 90
|
| 548 |
+
G O6 O N N 91
|
| 549 |
+
G N1 N N N 92
|
| 550 |
+
G C2 C N N 93
|
| 551 |
+
G N2 N N N 94
|
| 552 |
+
G N3 N N N 95
|
| 553 |
+
G C4 C Y N 96
|
| 554 |
+
G HOP3 H N N 97
|
| 555 |
+
G HOP2 H N N 98
|
| 556 |
+
G "H5'" H N N 99
|
| 557 |
+
G "H5''" H N N 100
|
| 558 |
+
G "H4'" H N N 101
|
| 559 |
+
G "H3'" H N N 102
|
| 560 |
+
G "HO3'" H N N 103
|
| 561 |
+
G "H2'" H N N 104
|
| 562 |
+
G "HO2'" H N N 105
|
| 563 |
+
G "H1'" H N N 106
|
| 564 |
+
G H8 H N N 107
|
| 565 |
+
G H1 H N N 108
|
| 566 |
+
G H21 H N N 109
|
| 567 |
+
G H22 H N N 110
|
| 568 |
+
U OP3 O N N 111
|
| 569 |
+
U P P N N 112
|
| 570 |
+
U OP1 O N N 113
|
| 571 |
+
U OP2 O N N 114
|
| 572 |
+
U "O5'" O N N 115
|
| 573 |
+
U "C5'" C N N 116
|
| 574 |
+
U "C4'" C N R 117
|
| 575 |
+
U "O4'" O N N 118
|
| 576 |
+
U "C3'" C N S 119
|
| 577 |
+
U "O3'" O N N 120
|
| 578 |
+
U "C2'" C N R 121
|
| 579 |
+
U "O2'" O N N 122
|
| 580 |
+
U "C1'" C N R 123
|
| 581 |
+
U N1 N N N 124
|
| 582 |
+
U C2 C N N 125
|
| 583 |
+
U O2 O N N 126
|
| 584 |
+
U N3 N N N 127
|
| 585 |
+
U C4 C N N 128
|
| 586 |
+
U O4 O N N 129
|
| 587 |
+
U C5 C N N 130
|
| 588 |
+
U C6 C N N 131
|
| 589 |
+
U HOP3 H N N 132
|
| 590 |
+
U HOP2 H N N 133
|
| 591 |
+
U "H5'" H N N 134
|
| 592 |
+
U "H5''" H N N 135
|
| 593 |
+
U "H4'" H N N 136
|
| 594 |
+
U "H3'" H N N 137
|
| 595 |
+
U "HO3'" H N N 138
|
| 596 |
+
U "H2'" H N N 139
|
| 597 |
+
U "HO2'" H N N 140
|
| 598 |
+
U "H1'" H N N 141
|
| 599 |
+
U H3 H N N 142
|
| 600 |
+
U H5 H N N 143
|
| 601 |
+
U H6 H N N 144
|
| 602 |
+
#
|
| 603 |
+
loop_
|
| 604 |
+
_chem_comp_bond.comp_id
|
| 605 |
+
_chem_comp_bond.atom_id_1
|
| 606 |
+
_chem_comp_bond.atom_id_2
|
| 607 |
+
_chem_comp_bond.value_order
|
| 608 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 609 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 610 |
+
_chem_comp_bond.pdbx_ordinal
|
| 611 |
+
A OP3 P sing N N 1
|
| 612 |
+
A OP3 HOP3 sing N N 2
|
| 613 |
+
A P OP1 doub N N 3
|
| 614 |
+
A P OP2 sing N N 4
|
| 615 |
+
A P "O5'" sing N N 5
|
| 616 |
+
A OP2 HOP2 sing N N 6
|
| 617 |
+
A "O5'" "C5'" sing N N 7
|
| 618 |
+
A "C5'" "C4'" sing N N 8
|
| 619 |
+
A "C5'" "H5'" sing N N 9
|
| 620 |
+
A "C5'" "H5''" sing N N 10
|
| 621 |
+
A "C4'" "O4'" sing N N 11
|
| 622 |
+
A "C4'" "C3'" sing N N 12
|
| 623 |
+
A "C4'" "H4'" sing N N 13
|
| 624 |
+
A "O4'" "C1'" sing N N 14
|
| 625 |
+
A "C3'" "O3'" sing N N 15
|
| 626 |
+
A "C3'" "C2'" sing N N 16
|
| 627 |
+
A "C3'" "H3'" sing N N 17
|
| 628 |
+
A "O3'" "HO3'" sing N N 18
|
| 629 |
+
A "C2'" "O2'" sing N N 19
|
| 630 |
+
A "C2'" "C1'" sing N N 20
|
| 631 |
+
A "C2'" "H2'" sing N N 21
|
| 632 |
+
A "O2'" "HO2'" sing N N 22
|
| 633 |
+
A "C1'" N9 sing N N 23
|
| 634 |
+
A "C1'" "H1'" sing N N 24
|
| 635 |
+
A N9 C8 sing Y N 25
|
| 636 |
+
A N9 C4 sing Y N 26
|
| 637 |
+
A C8 N7 doub Y N 27
|
| 638 |
+
A C8 H8 sing N N 28
|
| 639 |
+
A N7 C5 sing Y N 29
|
| 640 |
+
A C5 C6 sing Y N 30
|
| 641 |
+
A C5 C4 doub Y N 31
|
| 642 |
+
A C6 N6 sing N N 32
|
| 643 |
+
A C6 N1 doub Y N 33
|
| 644 |
+
A N6 H61 sing N N 34
|
| 645 |
+
A N6 H62 sing N N 35
|
| 646 |
+
A N1 C2 sing Y N 36
|
| 647 |
+
A C2 N3 doub Y N 37
|
| 648 |
+
A C2 H2 sing N N 38
|
| 649 |
+
A N3 C4 sing Y N 39
|
| 650 |
+
C OP3 P sing N N 40
|
| 651 |
+
C OP3 HOP3 sing N N 41
|
| 652 |
+
C P OP1 doub N N 42
|
| 653 |
+
C P OP2 sing N N 43
|
| 654 |
+
C P "O5'" sing N N 44
|
| 655 |
+
C OP2 HOP2 sing N N 45
|
| 656 |
+
C "O5'" "C5'" sing N N 46
|
| 657 |
+
C "C5'" "C4'" sing N N 47
|
| 658 |
+
C "C5'" "H5'" sing N N 48
|
| 659 |
+
C "C5'" "H5''" sing N N 49
|
| 660 |
+
C "C4'" "O4'" sing N N 50
|
| 661 |
+
C "C4'" "C3'" sing N N 51
|
| 662 |
+
C "C4'" "H4'" sing N N 52
|
| 663 |
+
C "O4'" "C1'" sing N N 53
|
| 664 |
+
C "C3'" "O3'" sing N N 54
|
| 665 |
+
C "C3'" "C2'" sing N N 55
|
| 666 |
+
C "C3'" "H3'" sing N N 56
|
| 667 |
+
C "O3'" "HO3'" sing N N 57
|
| 668 |
+
C "C2'" "O2'" sing N N 58
|
| 669 |
+
C "C2'" "C1'" sing N N 59
|
| 670 |
+
C "C2'" "H2'" sing N N 60
|
| 671 |
+
C "O2'" "HO2'" sing N N 61
|
| 672 |
+
C "C1'" N1 sing N N 62
|
| 673 |
+
C "C1'" "H1'" sing N N 63
|
| 674 |
+
C N1 C2 sing N N 64
|
| 675 |
+
C N1 C6 sing N N 65
|
| 676 |
+
C C2 O2 doub N N 66
|
| 677 |
+
C C2 N3 sing N N 67
|
| 678 |
+
C N3 C4 doub N N 68
|
| 679 |
+
C C4 N4 sing N N 69
|
| 680 |
+
C C4 C5 sing N N 70
|
| 681 |
+
C N4 H41 sing N N 71
|
| 682 |
+
C N4 H42 sing N N 72
|
| 683 |
+
C C5 C6 doub N N 73
|
| 684 |
+
C C5 H5 sing N N 74
|
| 685 |
+
C C6 H6 sing N N 75
|
| 686 |
+
G OP3 P sing N N 76
|
| 687 |
+
G OP3 HOP3 sing N N 77
|
| 688 |
+
G P OP1 doub N N 78
|
| 689 |
+
G P OP2 sing N N 79
|
| 690 |
+
G P "O5'" sing N N 80
|
| 691 |
+
G OP2 HOP2 sing N N 81
|
| 692 |
+
G "O5'" "C5'" sing N N 82
|
| 693 |
+
G "C5'" "C4'" sing N N 83
|
| 694 |
+
G "C5'" "H5'" sing N N 84
|
| 695 |
+
G "C5'" "H5''" sing N N 85
|
| 696 |
+
G "C4'" "O4'" sing N N 86
|
| 697 |
+
G "C4'" "C3'" sing N N 87
|
| 698 |
+
G "C4'" "H4'" sing N N 88
|
| 699 |
+
G "O4'" "C1'" sing N N 89
|
| 700 |
+
G "C3'" "O3'" sing N N 90
|
| 701 |
+
G "C3'" "C2'" sing N N 91
|
| 702 |
+
G "C3'" "H3'" sing N N 92
|
| 703 |
+
G "O3'" "HO3'" sing N N 93
|
| 704 |
+
G "C2'" "O2'" sing N N 94
|
| 705 |
+
G "C2'" "C1'" sing N N 95
|
| 706 |
+
G "C2'" "H2'" sing N N 96
|
| 707 |
+
G "O2'" "HO2'" sing N N 97
|
| 708 |
+
G "C1'" N9 sing N N 98
|
| 709 |
+
G "C1'" "H1'" sing N N 99
|
| 710 |
+
G N9 C8 sing Y N 100
|
| 711 |
+
G N9 C4 sing Y N 101
|
| 712 |
+
G C8 N7 doub Y N 102
|
| 713 |
+
G C8 H8 sing N N 103
|
| 714 |
+
G N7 C5 sing Y N 104
|
| 715 |
+
G C5 C6 sing N N 105
|
| 716 |
+
G C5 C4 doub Y N 106
|
| 717 |
+
G C6 O6 doub N N 107
|
| 718 |
+
G C6 N1 sing N N 108
|
| 719 |
+
G N1 C2 sing N N 109
|
| 720 |
+
G N1 H1 sing N N 110
|
| 721 |
+
G C2 N2 sing N N 111
|
| 722 |
+
G C2 N3 doub N N 112
|
| 723 |
+
G N2 H21 sing N N 113
|
| 724 |
+
G N2 H22 sing N N 114
|
| 725 |
+
G N3 C4 sing N N 115
|
| 726 |
+
U OP3 P sing N N 116
|
| 727 |
+
U OP3 HOP3 sing N N 117
|
| 728 |
+
U P OP1 doub N N 118
|
| 729 |
+
U P OP2 sing N N 119
|
| 730 |
+
U P "O5'" sing N N 120
|
| 731 |
+
U OP2 HOP2 sing N N 121
|
| 732 |
+
U "O5'" "C5'" sing N N 122
|
| 733 |
+
U "C5'" "C4'" sing N N 123
|
| 734 |
+
U "C5'" "H5'" sing N N 124
|
| 735 |
+
U "C5'" "H5''" sing N N 125
|
| 736 |
+
U "C4'" "O4'" sing N N 126
|
| 737 |
+
U "C4'" "C3'" sing N N 127
|
| 738 |
+
U "C4'" "H4'" sing N N 128
|
| 739 |
+
U "O4'" "C1'" sing N N 129
|
| 740 |
+
U "C3'" "O3'" sing N N 130
|
| 741 |
+
U "C3'" "C2'" sing N N 131
|
| 742 |
+
U "C3'" "H3'" sing N N 132
|
| 743 |
+
U "O3'" "HO3'" sing N N 133
|
| 744 |
+
U "C2'" "O2'" sing N N 134
|
| 745 |
+
U "C2'" "C1'" sing N N 135
|
| 746 |
+
U "C2'" "H2'" sing N N 136
|
| 747 |
+
U "O2'" "HO2'" sing N N 137
|
| 748 |
+
U "C1'" N1 sing N N 138
|
| 749 |
+
U "C1'" "H1'" sing N N 139
|
| 750 |
+
U N1 C2 sing N N 140
|
| 751 |
+
U N1 C6 sing N N 141
|
| 752 |
+
U C2 O2 doub N N 142
|
| 753 |
+
U C2 N3 sing N N 143
|
| 754 |
+
U N3 C4 sing N N 144
|
| 755 |
+
U N3 H3 sing N N 145
|
| 756 |
+
U C4 O4 doub N N 146
|
| 757 |
+
U C4 C5 sing N N 147
|
| 758 |
+
U C5 C6 doub N N 148
|
| 759 |
+
U C5 H5 sing N N 149
|
| 760 |
+
U C6 H6 sing N N 150
|
| 761 |
+
#
|
| 762 |
+
loop_
|
| 763 |
+
_ndb_struct_conf_na.entry_id
|
| 764 |
+
_ndb_struct_conf_na.feature
|
| 765 |
+
1IK1 'a-form double helix'
|
| 766 |
+
1IK1 'hairpin loop'
|
| 767 |
+
#
|
| 768 |
+
loop_
|
| 769 |
+
_ndb_struct_na_base_pair.model_number
|
| 770 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 771 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 772 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 773 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 774 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 775 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 776 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 777 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 778 |
+
_ndb_struct_na_base_pair.shear
|
| 779 |
+
_ndb_struct_na_base_pair.stretch
|
| 780 |
+
_ndb_struct_na_base_pair.stagger
|
| 781 |
+
_ndb_struct_na_base_pair.buckle
|
| 782 |
+
_ndb_struct_na_base_pair.propeller
|
| 783 |
+
_ndb_struct_na_base_pair.opening
|
| 784 |
+
_ndb_struct_na_base_pair.pair_number
|
| 785 |
+
_ndb_struct_na_base_pair.pair_name
|
| 786 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 787 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 788 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 789 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 790 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 791 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 792 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 793 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 794 |
+
1 A G 1 1_555 A C 13 1_555 -0.463 -0.128 0.172 -5.777 -9.169 -2.488 1 A_G1:C13_A A 1 ? A 13 ? 19 1
|
| 795 |
+
1 A G 2 1_555 A C 12 1_555 -0.599 -0.162 -0.119 -5.378 -20.752 0.679 2 A_G2:C12_A A 2 ? A 12 ? 19 1
|
| 796 |
+
1 A U 3 1_555 A A 11 1_555 -0.045 -0.067 -0.203 2.449 -26.688 1.994 3 A_U3:A11_A A 3 ? A 11 ? 20 1
|
| 797 |
+
1 A A 4 1_555 A U 10 1_555 0.070 -0.050 0.301 -1.067 -16.004 -1.983 4 A_A4:U10_A A 4 ? A 10 ? 20 1
|
| 798 |
+
1 A C 5 1_555 A G 9 1_555 0.578 -0.170 0.113 15.334 -12.957 -3.510 5 A_C5:G9_A A 5 ? A 9 ? 19 1
|
| 799 |
+
#
|
| 800 |
+
loop_
|
| 801 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 802 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 803 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 804 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 805 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 806 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 807 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 808 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 809 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 810 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 811 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 812 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 813 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 814 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 815 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 816 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 817 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 818 |
+
_ndb_struct_na_base_pair_step.shift
|
| 819 |
+
_ndb_struct_na_base_pair_step.slide
|
| 820 |
+
_ndb_struct_na_base_pair_step.rise
|
| 821 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 822 |
+
_ndb_struct_na_base_pair_step.roll
|
| 823 |
+
_ndb_struct_na_base_pair_step.twist
|
| 824 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 825 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 826 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 827 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 828 |
+
_ndb_struct_na_base_pair_step.tip
|
| 829 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 830 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 831 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 832 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 833 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 834 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 835 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 836 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 837 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 838 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 839 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 840 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 841 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 842 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 843 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 844 |
+
1 A G 1 1_555 A C 13 1_555 A G 2 1_555 A C 12 1_555 0.071 -1.873 3.137 1.623 9.763 28.176 -5.402 0.155 2.370 19.315 -3.211
|
| 845 |
+
29.831 1 AA_G1G2:C12C13_AA A 1 ? A 13 ? A 2 ? A 12 ?
|
| 846 |
+
1 A G 2 1_555 A C 12 1_555 A U 3 1_555 A A 11 1_555 0.098 -1.201 2.949 1.897 4.712 34.894 -2.597 0.086 2.770 7.806 -3.143
|
| 847 |
+
35.250 2 AA_G2U3:A11C12_AA A 2 ? A 12 ? A 3 ? A 11 ?
|
| 848 |
+
1 A U 3 1_555 A A 11 1_555 A A 4 1_555 A U 10 1_555 -0.012 -1.608 3.076 -2.333 22.285 31.050 -4.706 -0.216 1.605 36.302 3.801
|
| 849 |
+
38.128 3 AA_U3A4:U10A11_AA A 3 ? A 11 ? A 4 ? A 10 ?
|
| 850 |
+
1 A A 4 1_555 A U 10 1_555 A C 5 1_555 A G 9 1_555 -0.251 -1.247 2.854 -1.739 1.287 33.657 -2.330 0.188 2.815 2.219 3.000
|
| 851 |
+
33.725 4 AA_A4C5:G9U10_AA A 4 ? A 10 ? A 5 ? A 9 ?
|
| 852 |
+
#
|
| 853 |
+
_pdbx_nmr_spectrometer.spectrometer_id 1
|
| 854 |
+
_pdbx_nmr_spectrometer.type ?
|
| 855 |
+
_pdbx_nmr_spectrometer.manufacturer Varian
|
| 856 |
+
_pdbx_nmr_spectrometer.model INOVA
|
| 857 |
+
_pdbx_nmr_spectrometer.field_strength 600
|
| 858 |
+
#
|
| 859 |
+
_atom_sites.entry_id 1IK1
|
| 860 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 861 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 862 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 863 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 864 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 865 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 866 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 867 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 868 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 869 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 870 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 871 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 872 |
+
#
|
| 873 |
+
loop_
|
| 874 |
+
_atom_type.symbol
|
| 875 |
+
C
|
| 876 |
+
H
|
| 877 |
+
N
|
| 878 |
+
O
|
| 879 |
+
P
|
| 880 |
+
#
|
| 881 |
+
loop_
|
| 882 |
+
_atom_site.group_PDB
|
| 883 |
+
_atom_site.id
|
| 884 |
+
_atom_site.type_symbol
|
| 885 |
+
_atom_site.label_atom_id
|
| 886 |
+
_atom_site.label_alt_id
|
| 887 |
+
_atom_site.label_comp_id
|
| 888 |
+
_atom_site.label_asym_id
|
| 889 |
+
_atom_site.label_entity_id
|
| 890 |
+
_atom_site.label_seq_id
|
| 891 |
+
_atom_site.pdbx_PDB_ins_code
|
| 892 |
+
_atom_site.Cartn_x
|
| 893 |
+
_atom_site.Cartn_y
|
| 894 |
+
_atom_site.Cartn_z
|
| 895 |
+
_atom_site.occupancy
|
| 896 |
+
_atom_site.B_iso_or_equiv
|
| 897 |
+
_atom_site.pdbx_formal_charge
|
| 898 |
+
_atom_site.auth_seq_id
|
| 899 |
+
_atom_site.auth_comp_id
|
| 900 |
+
_atom_site.auth_asym_id
|
| 901 |
+
_atom_site.auth_atom_id
|
| 902 |
+
_atom_site.pdbx_PDB_model_num
|
| 903 |
+
ATOM 1 O "O5'" . G A 1 1 ? 9.134 -3.406 5.909 1.00 0.00 ? 1 G A "O5'" 1
|
| 904 |
+
ATOM 2 C "C5'" . G A 1 1 ? 10.486 -3.111 5.626 1.00 0.00 ? 1 G A "C5'" 1
|
| 905 |
+
ATOM 3 C "C4'" . G A 1 1 ? 10.641 -1.650 5.186 1.00 0.00 ? 1 G A "C4'" 1
|
| 906 |
+
ATOM 4 O "O4'" . G A 1 1 ? 9.941 -1.400 3.977 1.00 0.00 ? 1 G A "O4'" 1
|
| 907 |
+
ATOM 5 C "C3'" . G A 1 1 ? 10.107 -0.649 6.216 1.00 0.00 ? 1 G A "C3'" 1
|
| 908 |
+
ATOM 6 O "O3'" . G A 1 1 ? 11.047 -0.404 7.255 1.00 0.00 ? 1 G A "O3'" 1
|
| 909 |
+
ATOM 7 C "C2'" . G A 1 1 ? 9.876 0.560 5.314 1.00 0.00 ? 1 G A "C2'" 1
|
| 910 |
+
ATOM 8 O "O2'" . G A 1 1 ? 11.094 1.226 5.038 1.00 0.00 ? 1 G A "O2'" 1
|
| 911 |
+
ATOM 9 C "C1'" . G A 1 1 ? 9.358 -0.107 4.031 1.00 0.00 ? 1 G A "C1'" 1
|
| 912 |
+
ATOM 10 N N9 . G A 1 1 ? 7.874 -0.200 4.037 1.00 0.00 ? 1 G A N9 1
|
| 913 |
+
ATOM 11 C C8 . G A 1 1 ? 7.055 -1.292 4.201 1.00 0.00 ? 1 G A C8 1
|
| 914 |
+
ATOM 12 N N7 . G A 1 1 ? 5.781 -1.030 4.109 1.00 0.00 ? 1 G A N7 1
|
| 915 |
+
ATOM 13 C C5 . G A 1 1 ? 5.739 0.335 3.865 1.00 0.00 ? 1 G A C5 1
|
| 916 |
+
ATOM 14 C C6 . G A 1 1 ? 4.621 1.205 3.660 1.00 0.00 ? 1 G A C6 1
|
| 917 |
+
ATOM 15 O O6 . G A 1 1 ? 3.429 0.904 3.673 1.00 0.00 ? 1 G A O6 1
|
| 918 |
+
ATOM 16 N N1 . G A 1 1 ? 4.995 2.535 3.426 1.00 0.00 ? 1 G A N1 1
|
| 919 |
+
ATOM 17 C C2 . G A 1 1 ? 6.317 2.979 3.406 1.00 0.00 ? 1 G A C2 1
|
| 920 |
+
ATOM 18 N N2 . G A 1 1 ? 6.529 4.278 3.178 1.00 0.00 ? 1 G A N2 1
|
| 921 |
+
ATOM 19 N N3 . G A 1 1 ? 7.367 2.156 3.604 1.00 0.00 ? 1 G A N3 1
|
| 922 |
+
ATOM 20 C C4 . G A 1 1 ? 7.020 0.854 3.823 1.00 0.00 ? 1 G A C4 1
|
| 923 |
+
ATOM 21 H "H5'" . G A 1 1 ? 10.842 -3.774 4.836 1.00 0.00 ? 1 G A "H5'" 1
|
| 924 |
+
ATOM 22 H "H5''" . G A 1 1 ? 11.079 -3.280 6.525 1.00 0.00 ? 1 G A "H5''" 1
|
| 925 |
+
ATOM 23 H "H4'" . G A 1 1 ? 11.697 -1.445 4.995 1.00 0.00 ? 1 G A "H4'" 1
|
| 926 |
+
ATOM 24 H "H3'" . G A 1 1 ? 9.148 -0.995 6.610 1.00 0.00 ? 1 G A "H3'" 1
|
| 927 |
+
ATOM 25 H "H2'" . G A 1 1 ? 9.163 1.259 5.747 1.00 0.00 ? 1 G A "H2'" 1
|
| 928 |
+
ATOM 26 H "HO2'" . G A 1 1 ? 11.776 0.853 5.603 1.00 0.00 ? 1 G A "HO2'" 1
|
| 929 |
+
ATOM 27 H "H1'" . G A 1 1 ? 9.659 0.462 3.149 1.00 0.00 ? 1 G A "H1'" 1
|
| 930 |
+
ATOM 28 H H8 . G A 1 1 ? 7.419 -2.292 4.377 1.00 0.00 ? 1 G A H8 1
|
| 931 |
+
ATOM 29 H H1 . G A 1 1 ? 4.255 3.201 3.263 1.00 0.00 ? 1 G A H1 1
|
| 932 |
+
ATOM 30 H H21 . G A 1 1 ? 5.749 4.902 3.038 1.00 0.00 ? 1 G A H21 1
|
| 933 |
+
ATOM 31 H H22 . G A 1 1 ? 7.472 4.638 3.155 1.00 0.00 ? 1 G A H22 1
|
| 934 |
+
ATOM 32 H "HO5'" . G A 1 1 ? 9.075 -4.295 6.266 1.00 0.00 ? 1 G A "HO5'" 1
|
| 935 |
+
ATOM 33 P P . G A 1 2 ? 10.623 0.217 8.691 1.00 0.00 ? 2 G A P 1
|
| 936 |
+
ATOM 34 O OP1 . G A 1 2 ? 11.863 0.473 9.457 1.00 0.00 ? 2 G A OP1 1
|
| 937 |
+
ATOM 35 O OP2 . G A 1 2 ? 9.576 -0.653 9.271 1.00 0.00 ? 2 G A OP2 1
|
| 938 |
+
ATOM 36 O "O5'" . G A 1 2 ? 9.942 1.642 8.336 1.00 0.00 ? 2 G A "O5'" 1
|
| 939 |
+
ATOM 37 C "C5'" . G A 1 2 ? 10.710 2.800 8.049 1.00 0.00 ? 2 G A "C5'" 1
|
| 940 |
+
ATOM 38 C "C4'" . G A 1 2 ? 9.794 3.967 7.658 1.00 0.00 ? 2 G A "C4'" 1
|
| 941 |
+
ATOM 39 O "O4'" . G A 1 2 ? 8.937 3.626 6.584 1.00 0.00 ? 2 G A "O4'" 1
|
| 942 |
+
ATOM 40 C "C3'" . G A 1 2 ? 8.869 4.423 8.787 1.00 0.00 ? 2 G A "C3'" 1
|
| 943 |
+
ATOM 41 O "O3'" . G A 1 2 ? 9.572 5.199 9.750 1.00 0.00 ? 2 G A "O3'" 1
|
| 944 |
+
ATOM 42 C "C2'" . G A 1 2 ? 7.839 5.218 7.983 1.00 0.00 ? 2 G A "C2'" 1
|
| 945 |
+
ATOM 43 O "O2'" . G A 1 2 ? 8.291 6.532 7.715 1.00 0.00 ? 2 G A "O2'" 1
|
| 946 |
+
ATOM 44 C "C1'" . G A 1 2 ? 7.760 4.411 6.675 1.00 0.00 ? 2 G A "C1'" 1
|
| 947 |
+
ATOM 45 N N9 . G A 1 2 ? 6.540 3.565 6.668 1.00 0.00 ? 2 G A N9 1
|
| 948 |
+
ATOM 46 C C8 . G A 1 2 ? 6.377 2.226 6.936 1.00 0.00 ? 2 G A C8 1
|
| 949 |
+
ATOM 47 N N7 . G A 1 2 ? 5.143 1.810 6.848 1.00 0.00 ? 2 G A N7 1
|
| 950 |
+
ATOM 48 C C5 . G A 1 2 ? 4.426 2.950 6.504 1.00 0.00 ? 2 G A C5 1
|
| 951 |
+
ATOM 49 C C6 . G A 1 2 ? 3.028 3.134 6.241 1.00 0.00 ? 2 G A C6 1
|
| 952 |
+
ATOM 50 O O6 . G A 1 2 ? 2.139 2.285 6.265 1.00 0.00 ? 2 G A O6 1
|
| 953 |
+
ATOM 51 N N1 . G A 1 2 ? 2.701 4.461 5.931 1.00 0.00 ? 2 G A N1 1
|
| 954 |
+
ATOM 52 C C2 . G A 1 2 ? 3.625 5.502 5.880 1.00 0.00 ? 2 G A C2 1
|
| 955 |
+
ATOM 53 N N2 . G A 1 2 ? 3.165 6.728 5.604 1.00 0.00 ? 2 G A N2 1
|
| 956 |
+
ATOM 54 N N3 . G A 1 2 ? 4.940 5.321 6.109 1.00 0.00 ? 2 G A N3 1
|
| 957 |
+
ATOM 55 C C4 . G A 1 2 ? 5.278 4.033 6.411 1.00 0.00 ? 2 G A C4 1
|
| 958 |
+
ATOM 56 H "H5'" . G A 1 2 ? 11.404 2.605 7.230 1.00 0.00 ? 2 G A "H5'" 1
|
| 959 |
+
ATOM 57 H "H5''" . G A 1 2 ? 11.283 3.089 8.931 1.00 0.00 ? 2 G A "H5''" 1
|
| 960 |
+
ATOM 58 H "H4'" . G A 1 2 ? 10.414 4.807 7.337 1.00 0.00 ? 2 G A "H4'" 1
|
| 961 |
+
ATOM 59 H "H3'" . G A 1 2 ? 8.390 3.549 9.237 1.00 0.00 ? 2 G A "H3'" 1
|
| 962 |
+
ATOM 60 H "H2'" . G A 1 2 ? 6.883 5.274 8.498 1.00 0.00 ? 2 G A "H2'" 1
|
| 963 |
+
ATOM 61 H "HO2'" . G A 1 2 ? 9.242 6.561 7.836 1.00 0.00 ? 2 G A "HO2'" 1
|
| 964 |
+
ATOM 62 H "H1'" . G A 1 2 ? 7.723 5.077 5.811 1.00 0.00 ? 2 G A "H1'" 1
|
| 965 |
+
ATOM 63 H H8 . G A 1 2 ? 7.192 1.566 7.192 1.00 0.00 ? 2 G A H8 1
|
| 966 |
+
ATOM 64 H H1 . G A 1 2 ? 1.731 4.667 5.751 1.00 0.00 ? 2 G A H1 1
|
| 967 |
+
ATOM 65 H H21 . G A 1 2 ? 2.180 6.879 5.451 1.00 0.00 ? 2 G A H21 1
|
| 968 |
+
ATOM 66 H H22 . G A 1 2 ? 3.807 7.507 5.562 1.00 0.00 ? 2 G A H22 1
|
| 969 |
+
ATOM 67 P P . U A 1 3 ? 8.988 5.498 11.231 1.00 0.00 ? 3 U A P 1
|
| 970 |
+
ATOM 68 O OP1 . U A 1 3 ? 9.969 6.352 11.939 1.00 0.00 ? 3 U A OP1 1
|
| 971 |
+
ATOM 69 O OP2 . U A 1 3 ? 8.578 4.209 11.830 1.00 0.00 ? 3 U A OP2 1
|
| 972 |
+
ATOM 70 O "O5'" . U A 1 3 ? 7.653 6.370 10.969 1.00 0.00 ? 3 U A "O5'" 1
|
| 973 |
+
ATOM 71 C "C5'" . U A 1 3 ? 7.685 7.764 10.713 1.00 0.00 ? 3 U A "C5'" 1
|
| 974 |
+
ATOM 72 C "C4'" . U A 1 3 ? 6.282 8.267 10.343 1.00 0.00 ? 3 U A "C4'" 1
|
| 975 |
+
ATOM 73 O "O4'" . U A 1 3 ? 5.734 7.552 9.249 1.00 0.00 ? 3 U A "O4'" 1
|
| 976 |
+
ATOM 74 C "C3'" . U A 1 3 ? 5.261 8.127 11.474 1.00 0.00 ? 3 U A "C3'" 1
|
| 977 |
+
ATOM 75 O "O3'" . U A 1 3 ? 5.436 9.139 12.458 1.00 0.00 ? 3 U A "O3'" 1
|
| 978 |
+
ATOM 76 C "C2'" . U A 1 3 ? 3.960 8.257 10.681 1.00 0.00 ? 3 U A "C2'" 1
|
| 979 |
+
ATOM 77 O "O2'" . U A 1 3 ? 3.654 9.615 10.418 1.00 0.00 ? 3 U A "O2'" 1
|
| 980 |
+
ATOM 78 C "C1'" . U A 1 3 ? 4.317 7.528 9.373 1.00 0.00 ? 3 U A "C1'" 1
|
| 981 |
+
ATOM 79 N N1 . U A 1 3 ? 3.775 6.132 9.398 1.00 0.00 ? 3 U A N1 1
|
| 982 |
+
ATOM 80 C C2 . U A 1 3 ? 2.456 5.942 8.959 1.00 0.00 ? 3 U A C2 1
|
| 983 |
+
ATOM 81 O O2 . U A 1 3 ? 1.740 6.854 8.548 1.00 0.00 ? 3 U A O2 1
|
| 984 |
+
ATOM 82 N N3 . U A 1 3 ? 1.973 4.637 9.011 1.00 0.00 ? 3 U A N3 1
|
| 985 |
+
ATOM 83 C C4 . U A 1 3 ? 2.654 3.523 9.495 1.00 0.00 ? 3 U A C4 1
|
| 986 |
+
ATOM 84 O O4 . U A 1 3 ? 2.118 2.418 9.493 1.00 0.00 ? 3 U A O4 1
|
| 987 |
+
ATOM 85 C C5 . U A 1 3 ? 3.992 3.812 9.981 1.00 0.00 ? 3 U A C5 1
|
| 988 |
+
ATOM 86 C C6 . U A 1 3 ? 4.498 5.072 9.923 1.00 0.00 ? 3 U A C6 1
|
| 989 |
+
ATOM 87 H "H5'" . U A 1 3 ? 8.370 7.990 9.895 1.00 0.00 ? 3 U A "H5'" 1
|
| 990 |
+
ATOM 88 H "H5''" . U A 1 3 ? 8.022 8.291 11.608 1.00 0.00 ? 3 U A "H5''" 1
|
| 991 |
+
ATOM 89 H "H4'" . U A 1 3 ? 6.357 9.317 10.051 1.00 0.00 ? 3 U A "H4'" 1
|
| 992 |
+
ATOM 90 H "H3'" . U A 1 3 ? 5.332 7.125 11.903 1.00 0.00 ? 3 U A "H3'" 1
|
| 993 |
+
ATOM 91 H "H2'" . U A 1 3 ? 3.117 7.801 11.200 1.00 0.00 ? 3 U A "H2'" 1
|
| 994 |
+
ATOM 92 H "HO2'" . U A 1 3 ? 4.471 10.119 10.409 1.00 0.00 ? 3 U A "HO2'" 1
|
| 995 |
+
ATOM 93 H "H1'" . U A 1 3 ? 3.920 8.065 8.509 1.00 0.00 ? 3 U A "H1'" 1
|
| 996 |
+
ATOM 94 H H3 . U A 1 3 ? 1.040 4.488 8.665 1.00 0.00 ? 3 U A H3 1
|
| 997 |
+
ATOM 95 H H5 . U A 1 3 ? 4.590 3.012 10.396 1.00 0.00 ? 3 U A H5 1
|
| 998 |
+
ATOM 96 H H6 . U A 1 3 ? 5.487 5.235 10.316 1.00 0.00 ? 3 U A H6 1
|
| 999 |
+
ATOM 97 P P . A A 1 4 ? 4.919 8.971 13.982 1.00 0.00 ? 4 A A P 1
|
| 1000 |
+
ATOM 98 O OP1 . A A 1 4 ? 5.191 10.240 14.695 1.00 0.00 ? 4 A A OP1 1
|
| 1001 |
+
ATOM 99 O OP2 . A A 1 4 ? 5.468 7.704 14.514 1.00 0.00 ? 4 A A OP2 1
|
| 1002 |
+
ATOM 100 O "O5'" . A A 1 4 ? 3.319 8.801 13.841 1.00 0.00 ? 4 A A "O5'" 1
|
| 1003 |
+
ATOM 101 C "C5'" . A A 1 4 ? 2.452 9.907 13.653 1.00 0.00 ? 4 A A "C5'" 1
|
| 1004 |
+
ATOM 102 C "C4'" . A A 1 4 ? 1.010 9.420 13.476 1.00 0.00 ? 4 A A "C4'" 1
|
| 1005 |
+
ATOM 103 O "O4'" . A A 1 4 ? 0.893 8.484 12.423 1.00 0.00 ? 4 A A "O4'" 1
|
| 1006 |
+
ATOM 104 C "C3'" . A A 1 4 ? 0.477 8.700 14.709 1.00 0.00 ? 4 A A "C3'" 1
|
| 1007 |
+
ATOM 105 O "O3'" . A A 1 4 ? 0.166 9.643 15.723 1.00 0.00 ? 4 A A "O3'" 1
|
| 1008 |
+
ATOM 106 C "C2'" . A A 1 4 ? -0.715 7.950 14.104 1.00 0.00 ? 4 A A "C2'" 1
|
| 1009 |
+
ATOM 107 O "O2'" . A A 1 4 ? -1.896 8.731 14.077 1.00 0.00 ? 4 A A "O2'" 1
|
| 1010 |
+
ATOM 108 C "C1'" . A A 1 4 ? -0.247 7.677 12.666 1.00 0.00 ? 4 A A "C1'" 1
|
| 1011 |
+
ATOM 109 N N9 . A A 1 4 ? 0.076 6.243 12.469 1.00 0.00 ? 4 A A N9 1
|
| 1012 |
+
ATOM 110 C C8 . A A 1 4 ? 1.281 5.589 12.573 1.00 0.00 ? 4 A A C8 1
|
| 1013 |
+
ATOM 111 N N7 . A A 1 4 ? 1.235 4.327 12.249 1.00 0.00 ? 4 A A N7 1
|
| 1014 |
+
ATOM 112 C C5 . A A 1 4 ? -0.101 4.115 11.933 1.00 0.00 ? 4 A A C5 1
|
| 1015 |
+
ATOM 113 C C6 . A A 1 4 ? -0.835 2.980 11.500 1.00 0.00 ? 4 A A C6 1
|
| 1016 |
+
ATOM 114 N N6 . A A 1 4 ? -0.266 1.800 11.223 1.00 0.00 ? 4 A A N6 1
|
| 1017 |
+
ATOM 115 N N1 . A A 1 4 ? -2.176 3.100 11.345 1.00 0.00 ? 4 A A N1 1
|
| 1018 |
+
ATOM 116 C C2 . A A 1 4 ? -2.765 4.277 11.579 1.00 0.00 ? 4 A A C2 1
|
| 1019 |
+
ATOM 117 N N3 . A A 1 4 ? -2.182 5.418 11.960 1.00 0.00 ? 4 A A N3 1
|
| 1020 |
+
ATOM 118 C C4 . A A 1 4 ? -0.829 5.271 12.121 1.00 0.00 ? 4 A A C4 1
|
| 1021 |
+
ATOM 119 H "H5'" . A A 1 4 ? 2.743 10.480 12.773 1.00 0.00 ? 4 A A "H5'" 1
|
| 1022 |
+
ATOM 120 H "H5''" . A A 1 4 ? 2.492 10.558 14.528 1.00 0.00 ? 4 A A "H5''" 1
|
| 1023 |
+
ATOM 121 H "H4'" . A A 1 4 ? 0.364 10.272 13.250 1.00 0.00 ? 4 A A "H4'" 1
|
| 1024 |
+
ATOM 122 H "H3'" . A A 1 4 ? 1.214 7.975 15.065 1.00 0.00 ? 4 A A "H3'" 1
|
| 1025 |
+
ATOM 123 H "H2'" . A A 1 4 ? -0.909 7.033 14.652 1.00 0.00 ? 4 A A "H2'" 1
|
| 1026 |
+
ATOM 124 H "HO2'" . A A 1 4 ? -1.655 9.659 14.074 1.00 0.00 ? 4 A A "HO2'" 1
|
| 1027 |
+
ATOM 125 H "H1'" . A A 1 4 ? -1.020 7.963 11.950 1.00 0.00 ? 4 A A "H1'" 1
|
| 1028 |
+
ATOM 126 H H8 . A A 1 4 ? 2.195 6.075 12.880 1.00 0.00 ? 4 A A H8 1
|
| 1029 |
+
ATOM 127 H H61 . A A 1 4 ? -0.839 1.027 10.916 1.00 0.00 ? 4 A A H61 1
|
| 1030 |
+
ATOM 128 H H62 . A A 1 4 ? 0.739 1.702 11.259 1.00 0.00 ? 4 A A H62 1
|
| 1031 |
+
ATOM 129 H H2 . A A 1 4 ? -3.835 4.311 11.432 1.00 0.00 ? 4 A A H2 1
|
| 1032 |
+
ATOM 130 P P . C A 1 5 ? -0.347 9.197 17.182 1.00 0.00 ? 5 C A P 1
|
| 1033 |
+
ATOM 131 O OP1 . C A 1 5 ? -0.635 10.416 17.970 1.00 0.00 ? 5 C A OP1 1
|
| 1034 |
+
ATOM 132 O OP2 . C A 1 5 ? 0.570 8.165 17.718 1.00 0.00 ? 5 C A OP2 1
|
| 1035 |
+
ATOM 133 O "O5'" . C A 1 5 ? -1.743 8.500 16.799 1.00 0.00 ? 5 C A "O5'" 1
|
| 1036 |
+
ATOM 134 C "C5'" . C A 1 5 ? -2.660 8.091 17.780 1.00 0.00 ? 5 C A "C5'" 1
|
| 1037 |
+
ATOM 135 C "C4'" . C A 1 5 ? -3.838 7.310 17.171 1.00 0.00 ? 5 C A "C4'" 1
|
| 1038 |
+
ATOM 136 O "O4'" . C A 1 5 ? -3.692 6.900 15.815 1.00 0.00 ? 5 C A "O4'" 1
|
| 1039 |
+
ATOM 137 C "C3'" . C A 1 5 ? -4.033 6.011 17.940 1.00 0.00 ? 5 C A "C3'" 1
|
| 1040 |
+
ATOM 138 O "O3'" . C A 1 5 ? -4.554 6.238 19.232 1.00 0.00 ? 5 C A "O3'" 1
|
| 1041 |
+
ATOM 139 C "C2'" . C A 1 5 ? -4.924 5.237 16.982 1.00 0.00 ? 5 C A "C2'" 1
|
| 1042 |
+
ATOM 140 O "O2'" . C A 1 5 ? -6.264 5.686 17.020 1.00 0.00 ? 5 C A "O2'" 1
|
| 1043 |
+
ATOM 141 C "C1'" . C A 1 5 ? -4.254 5.597 15.649 1.00 0.00 ? 5 C A "C1'" 1
|
| 1044 |
+
ATOM 142 N N1 . C A 1 5 ? -3.203 4.580 15.318 1.00 0.00 ? 5 C A N1 1
|
| 1045 |
+
ATOM 143 C C2 . C A 1 5 ? -3.605 3.387 14.692 1.00 0.00 ? 5 C A C2 1
|
| 1046 |
+
ATOM 144 O O2 . C A 1 5 ? -4.785 3.185 14.413 1.00 0.00 ? 5 C A O2 1
|
| 1047 |
+
ATOM 145 N N3 . C A 1 5 ? -2.652 2.447 14.400 1.00 0.00 ? 5 C A N3 1
|
| 1048 |
+
ATOM 146 C C4 . C A 1 5 ? -1.353 2.641 14.703 1.00 0.00 ? 5 C A C4 1
|
| 1049 |
+
ATOM 147 N N4 . C A 1 5 ? -0.465 1.688 14.398 1.00 0.00 ? 5 C A N4 1
|
| 1050 |
+
ATOM 148 C C5 . C A 1 5 ? -0.920 3.843 15.371 1.00 0.00 ? 5 C A C5 1
|
| 1051 |
+
ATOM 149 C C6 . C A 1 5 ? -1.875 4.761 15.666 1.00 0.00 ? 5 C A C6 1
|
| 1052 |
+
ATOM 150 H "H5'" . C A 1 5 ? -3.048 8.970 18.296 1.00 0.00 ? 5 C A "H5'" 1
|
| 1053 |
+
ATOM 151 H "H5''" . C A 1 5 ? -2.130 7.474 18.508 1.00 0.00 ? 5 C A "H5''" 1
|
| 1054 |
+
ATOM 152 H "H4'" . C A 1 5 ? -4.741 7.923 17.227 1.00 0.00 ? 5 C A "H4'" 1
|
| 1055 |
+
ATOM 153 H "H3'" . C A 1 5 ? -3.074 5.494 18.026 1.00 0.00 ? 5 C A "H3'" 1
|
| 1056 |
+
ATOM 154 H "H2'" . C A 1 5 ? -4.901 4.175 17.196 1.00 0.00 ? 5 C A "H2'" 1
|
| 1057 |
+
ATOM 155 H "HO2'" . C A 1 5 ? -6.273 6.645 17.014 1.00 0.00 ? 5 C A "HO2'" 1
|
| 1058 |
+
ATOM 156 H "H1'" . C A 1 5 ? -4.997 5.643 14.848 1.00 0.00 ? 5 C A "H1'" 1
|
| 1059 |
+
ATOM 157 H H41 . C A 1 5 ? -0.776 0.846 13.936 1.00 0.00 ? 5 C A H41 1
|
| 1060 |
+
ATOM 158 H H42 . C A 1 5 ? 0.515 1.820 14.601 1.00 0.00 ? 5 C A H42 1
|
| 1061 |
+
ATOM 159 H H5 . C A 1 5 ? 0.108 4.036 15.642 1.00 0.00 ? 5 C A H5 1
|
| 1062 |
+
ATOM 160 H H6 . C A 1 5 ? -1.575 5.645 16.206 1.00 0.00 ? 5 C A H6 1
|
| 1063 |
+
ATOM 161 P P . U A 1 6 ? -4.803 5.026 20.257 1.00 0.00 ? 6 U A P 1
|
| 1064 |
+
ATOM 162 O OP1 . U A 1 6 ? -4.824 5.584 21.627 1.00 0.00 ? 6 U A OP1 1
|
| 1065 |
+
ATOM 163 O OP2 . U A 1 6 ? -3.893 3.905 19.925 1.00 0.00 ? 6 U A OP2 1
|
| 1066 |
+
ATOM 164 O "O5'" . U A 1 6 ? -6.299 4.591 19.871 1.00 0.00 ? 6 U A "O5'" 1
|
| 1067 |
+
ATOM 165 C "C5'" . U A 1 6 ? -6.956 3.569 20.582 1.00 0.00 ? 6 U A "C5'" 1
|
| 1068 |
+
ATOM 166 C "C4'" . U A 1 6 ? -8.471 3.710 20.450 1.00 0.00 ? 6 U A "C4'" 1
|
| 1069 |
+
ATOM 167 O "O4'" . U A 1 6 ? -8.898 5.009 20.816 1.00 0.00 ? 6 U A "O4'" 1
|
| 1070 |
+
ATOM 168 C "C3'" . U A 1 6 ? -9.037 3.417 19.050 1.00 0.00 ? 6 U A "C3'" 1
|
| 1071 |
+
ATOM 169 O "O3'" . U A 1 6 ? -10.180 2.642 19.343 1.00 0.00 ? 6 U A "O3'" 1
|
| 1072 |
+
ATOM 170 C "C2'" . U A 1 6 ? -9.401 4.802 18.514 1.00 0.00 ? 6 U A "C2'" 1
|
| 1073 |
+
ATOM 171 O "O2'" . U A 1 6 ? -10.464 4.859 17.584 1.00 0.00 ? 6 U A "O2'" 1
|
| 1074 |
+
ATOM 172 C "C1'" . U A 1 6 ? -9.765 5.512 19.814 1.00 0.00 ? 6 U A "C1'" 1
|
| 1075 |
+
ATOM 173 N N1 . U A 1 6 ? -9.557 6.971 19.650 1.00 0.00 ? 6 U A N1 1
|
| 1076 |
+
ATOM 174 C C2 . U A 1 6 ? -10.673 7.818 19.601 1.00 0.00 ? 6 U A C2 1
|
| 1077 |
+
ATOM 175 O O2 . U A 1 6 ? -11.831 7.420 19.716 1.00 0.00 ? 6 U A O2 1
|
| 1078 |
+
ATOM 176 N N3 . U A 1 6 ? -10.400 9.173 19.404 1.00 0.00 ? 6 U A N3 1
|
| 1079 |
+
ATOM 177 C C4 . U A 1 6 ? -9.131 9.732 19.225 1.00 0.00 ? 6 U A C4 1
|
| 1080 |
+
ATOM 178 O O4 . U A 1 6 ? -9.004 10.944 19.074 1.00 0.00 ? 6 U A O4 1
|
| 1081 |
+
ATOM 179 C C5 . U A 1 6 ? -8.038 8.771 19.236 1.00 0.00 ? 6 U A C5 1
|
| 1082 |
+
ATOM 180 C C6 . U A 1 6 ? -8.279 7.455 19.447 1.00 0.00 ? 6 U A C6 1
|
| 1083 |
+
ATOM 181 H "H5'" . U A 1 6 ? -6.720 3.634 21.647 1.00 0.00 ? 6 U A "H5'" 1
|
| 1084 |
+
ATOM 182 H "H5''" . U A 1 6 ? -6.633 2.597 20.207 1.00 0.00 ? 6 U A "H5''" 1
|
| 1085 |
+
ATOM 183 H "H4'" . U A 1 6 ? -8.874 3.016 21.193 1.00 0.00 ? 6 U A "H4'" 1
|
| 1086 |
+
ATOM 184 H "H3'" . U A 1 6 ? -8.312 2.914 18.412 1.00 0.00 ? 6 U A "H3'" 1
|
| 1087 |
+
ATOM 185 H "H2'" . U A 1 6 ? -8.525 5.238 18.036 1.00 0.00 ? 6 U A "H2'" 1
|
| 1088 |
+
ATOM 186 H "HO2'" . U A 1 6 ? -10.725 5.774 17.456 1.00 0.00 ? 6 U A "HO2'" 1
|
| 1089 |
+
ATOM 187 H "H1'" . U A 1 6 ? -10.786 5.239 20.095 1.00 0.00 ? 6 U A "H1'" 1
|
| 1090 |
+
ATOM 188 H H3 . U A 1 6 ? -11.191 9.799 19.388 1.00 0.00 ? 6 U A H3 1
|
| 1091 |
+
ATOM 189 H H5 . U A 1 6 ? -7.020 9.097 19.076 1.00 0.00 ? 6 U A H5 1
|
| 1092 |
+
ATOM 190 H H6 . U A 1 6 ? -7.445 6.771 19.436 1.00 0.00 ? 6 U A H6 1
|
| 1093 |
+
ATOM 191 P P . A A 1 7 ? -10.927 1.685 18.310 1.00 0.00 ? 7 A A P 1
|
| 1094 |
+
ATOM 192 O OP1 . A A 1 7 ? -11.243 2.422 17.068 1.00 0.00 ? 7 A A OP1 1
|
| 1095 |
+
ATOM 193 O OP2 . A A 1 7 ? -12.014 1.027 19.065 1.00 0.00 ? 7 A A OP2 1
|
| 1096 |
+
ATOM 194 O "O5'" . A A 1 7 ? -9.864 0.553 17.921 1.00 0.00 ? 7 A A "O5'" 1
|
| 1097 |
+
ATOM 195 C "C5'" . A A 1 7 ? -10.336 -0.526 17.148 1.00 0.00 ? 7 A A "C5'" 1
|
| 1098 |
+
ATOM 196 C "C4'" . A A 1 7 ? -9.234 -1.418 16.602 1.00 0.00 ? 7 A A "C4'" 1
|
| 1099 |
+
ATOM 197 O "O4'" . A A 1 7 ? -8.166 -0.683 16.033 1.00 0.00 ? 7 A A "O4'" 1
|
| 1100 |
+
ATOM 198 C "C3'" . A A 1 7 ? -8.669 -2.317 17.703 1.00 0.00 ? 7 A A "C3'" 1
|
| 1101 |
+
ATOM 199 O "O3'" . A A 1 7 ? -8.649 -3.625 17.197 1.00 0.00 ? 7 A A "O3'" 1
|
| 1102 |
+
ATOM 200 C "C2'" . A A 1 7 ? -7.241 -1.832 17.876 1.00 0.00 ? 7 A A "C2'" 1
|
| 1103 |
+
ATOM 201 O "O2'" . A A 1 7 ? -6.356 -2.881 18.228 1.00 0.00 ? 7 A A "O2'" 1
|
| 1104 |
+
ATOM 202 C "C1'" . A A 1 7 ? -6.945 -1.227 16.502 1.00 0.00 ? 7 A A "C1'" 1
|
| 1105 |
+
ATOM 203 N N9 . A A 1 7 ? -5.951 -0.155 16.681 1.00 0.00 ? 7 A A N9 1
|
| 1106 |
+
ATOM 204 C C8 . A A 1 7 ? -6.171 1.117 17.142 1.00 0.00 ? 7 A A C8 1
|
| 1107 |
+
ATOM 205 N N7 . A A 1 7 ? -5.092 1.756 17.483 1.00 0.00 ? 7 A A N7 1
|
| 1108 |
+
ATOM 206 C C5 . A A 1 7 ? -4.073 0.864 17.187 1.00 0.00 ? 7 A A C5 1
|
| 1109 |
+
ATOM 207 C C6 . A A 1 7 ? -2.662 0.923 17.321 1.00 0.00 ? 7 A A C6 1
|
| 1110 |
+
ATOM 208 N N6 . A A 1 7 ? -2.035 1.978 17.858 1.00 0.00 ? 7 A A N6 1
|
| 1111 |
+
ATOM 209 N N1 . A A 1 7 ? -1.925 -0.141 16.909 1.00 0.00 ? 7 A A N1 1
|
| 1112 |
+
ATOM 210 C C2 . A A 1 7 ? -2.557 -1.217 16.419 1.00 0.00 ? 7 A A C2 1
|
| 1113 |
+
ATOM 211 N N3 . A A 1 7 ? -3.874 -1.404 16.274 1.00 0.00 ? 7 A A N3 1
|
| 1114 |
+
ATOM 212 C C4 . A A 1 7 ? -4.588 -0.306 16.674 1.00 0.00 ? 7 A A C4 1
|
| 1115 |
+
ATOM 213 H "H5'" . A A 1 7 ? -10.906 -0.146 16.298 1.00 0.00 ? 7 A A "H5'" 1
|
| 1116 |
+
ATOM 214 H "H5''" . A A 1 7 ? -10.997 -1.125 17.777 1.00 0.00 ? 7 A A "H5''" 1
|
| 1117 |
+
ATOM 215 H "H4'" . A A 1 7 ? -9.695 -2.009 15.806 1.00 0.00 ? 7 A A "H4'" 1
|
| 1118 |
+
ATOM 216 H "H3'" . A A 1 7 ? -9.199 -2.249 18.657 1.00 0.00 ? 7 A A "H3'" 1
|
| 1119 |
+
ATOM 217 H "H2'" . A A 1 7 ? -7.230 -1.072 18.660 1.00 0.00 ? 7 A A "H2'" 1
|
| 1120 |
+
ATOM 218 H "HO2'" . A A 1 7 ? -6.879 -3.678 18.353 1.00 0.00 ? 7 A A "HO2'" 1
|
| 1121 |
+
ATOM 219 H "H1'" . A A 1 7 ? -6.601 -1.995 15.806 1.00 0.00 ? 7 A A "H1'" 1
|
| 1122 |
+
ATOM 220 H H8 . A A 1 7 ? -7.161 1.527 17.250 1.00 0.00 ? 7 A A H8 1
|
| 1123 |
+
ATOM 221 H H61 . A A 1 7 ? -1.027 1.986 17.919 1.00 0.00 ? 7 A A H61 1
|
| 1124 |
+
ATOM 222 H H62 . A A 1 7 ? -2.572 2.754 18.219 1.00 0.00 ? 7 A A H62 1
|
| 1125 |
+
ATOM 223 H H2 . A A 1 7 ? -1.930 -2.041 16.111 1.00 0.00 ? 7 A A H2 1
|
| 1126 |
+
ATOM 224 P P . U A 1 8 ? -9.738 -4.710 17.621 1.00 0.00 ? 8 U A P 1
|
| 1127 |
+
ATOM 225 O OP1 . U A 1 8 ? -11.096 -4.239 17.272 1.00 0.00 ? 8 U A OP1 1
|
| 1128 |
+
ATOM 226 O OP2 . U A 1 8 ? -9.422 -5.175 18.991 1.00 0.00 ? 8 U A OP2 1
|
| 1129 |
+
ATOM 227 O "O5'" . U A 1 8 ? -9.259 -5.794 16.555 1.00 0.00 ? 8 U A "O5'" 1
|
| 1130 |
+
ATOM 228 C "C5'" . U A 1 8 ? -8.139 -6.606 16.818 1.00 0.00 ? 8 U A "C5'" 1
|
| 1131 |
+
ATOM 229 C "C4'" . U A 1 8 ? -7.211 -6.680 15.598 1.00 0.00 ? 8 U A "C4'" 1
|
| 1132 |
+
ATOM 230 O "O4'" . U A 1 8 ? -5.978 -6.031 15.882 1.00 0.00 ? 8 U A "O4'" 1
|
| 1133 |
+
ATOM 231 C "C3'" . U A 1 8 ? -6.862 -8.147 15.367 1.00 0.00 ? 8 U A "C3'" 1
|
| 1134 |
+
ATOM 232 O "O3'" . U A 1 8 ? -6.324 -8.211 14.069 1.00 0.00 ? 8 U A "O3'" 1
|
| 1135 |
+
ATOM 233 C "C2'" . U A 1 8 ? -5.804 -8.326 16.455 1.00 0.00 ? 8 U A "C2'" 1
|
| 1136 |
+
ATOM 234 O "O2'" . U A 1 8 ? -5.002 -9.475 16.291 1.00 0.00 ? 8 U A "O2'" 1
|
| 1137 |
+
ATOM 235 C "C1'" . U A 1 8 ? -5.024 -7.023 16.241 1.00 0.00 ? 8 U A "C1'" 1
|
| 1138 |
+
ATOM 236 N N1 . U A 1 8 ? -4.152 -6.538 17.349 1.00 0.00 ? 8 U A N1 1
|
| 1139 |
+
ATOM 237 C C2 . U A 1 8 ? -3.161 -5.607 16.991 1.00 0.00 ? 8 U A C2 1
|
| 1140 |
+
ATOM 238 O O2 . U A 1 8 ? -2.989 -5.215 15.839 1.00 0.00 ? 8 U A O2 1
|
| 1141 |
+
ATOM 239 N N3 . U A 1 8 ? -2.363 -5.123 18.027 1.00 0.00 ? 8 U A N3 1
|
| 1142 |
+
ATOM 240 C C4 . U A 1 8 ? -2.487 -5.463 19.373 1.00 0.00 ? 8 U A C4 1
|
| 1143 |
+
ATOM 241 O O4 . U A 1 8 ? -1.736 -4.959 20.207 1.00 0.00 ? 8 U A O4 1
|
| 1144 |
+
ATOM 242 C C5 . U A 1 8 ? -3.544 -6.419 19.664 1.00 0.00 ? 8 U A C5 1
|
| 1145 |
+
ATOM 243 C C6 . U A 1 8 ? -4.329 -6.919 18.668 1.00 0.00 ? 8 U A C6 1
|
| 1146 |
+
ATOM 244 H "H5'" . U A 1 8 ? -8.570 -7.574 17.065 1.00 0.00 ? 8 U A "H5'" 1
|
| 1147 |
+
ATOM 245 H "H5''" . U A 1 8 ? -7.552 -6.276 17.680 1.00 0.00 ? 8 U A "H5''" 1
|
| 1148 |
+
ATOM 246 H "H4'" . U A 1 8 ? -7.676 -6.227 14.719 1.00 0.00 ? 8 U A "H4'" 1
|
| 1149 |
+
ATOM 247 H "H3'" . U A 1 8 ? -7.730 -8.799 15.486 1.00 0.00 ? 8 U A "H3'" 1
|
| 1150 |
+
ATOM 248 H "H2'" . U A 1 8 ? -6.317 -8.374 17.415 1.00 0.00 ? 8 U A "H2'" 1
|
| 1151 |
+
ATOM 249 H "HO2'" . U A 1 8 ? -5.573 -10.217 16.078 1.00 0.00 ? 8 U A "HO2'" 1
|
| 1152 |
+
ATOM 250 H "H1'" . U A 1 8 ? -4.397 -7.197 15.363 1.00 0.00 ? 8 U A "H1'" 1
|
| 1153 |
+
ATOM 251 H H3 . U A 1 8 ? -1.642 -4.466 17.772 1.00 0.00 ? 8 U A H3 1
|
| 1154 |
+
ATOM 252 H H5 . U A 1 8 ? -3.714 -6.737 20.682 1.00 0.00 ? 8 U A H5 1
|
| 1155 |
+
ATOM 253 H H6 . U A 1 8 ? -5.097 -7.619 18.954 1.00 0.00 ? 8 U A H6 1
|
| 1156 |
+
ATOM 254 P P . G A 1 9 ? -6.429 -9.508 13.153 1.00 0.00 ? 9 G A P 1
|
| 1157 |
+
ATOM 255 O OP1 . G A 1 9 ? -7.859 -9.831 12.943 1.00 0.00 ? 9 G A OP1 1
|
| 1158 |
+
ATOM 256 O OP2 . G A 1 9 ? -5.504 -10.531 13.689 1.00 0.00 ? 9 G A OP2 1
|
| 1159 |
+
ATOM 257 O "O5'" . G A 1 9 ? -5.778 -8.897 11.810 1.00 0.00 ? 9 G A "O5'" 1
|
| 1160 |
+
ATOM 258 C "C5'" . G A 1 9 ? -6.324 -7.851 11.012 1.00 0.00 ? 9 G A "C5'" 1
|
| 1161 |
+
ATOM 259 C "C4'" . G A 1 9 ? -6.862 -6.553 11.666 1.00 0.00 ? 9 G A "C4'" 1
|
| 1162 |
+
ATOM 260 O "O4'" . G A 1 9 ? -5.960 -5.917 12.552 1.00 0.00 ? 9 G A "O4'" 1
|
| 1163 |
+
ATOM 261 C "C3'" . G A 1 9 ? -7.030 -5.515 10.556 1.00 0.00 ? 9 G A "C3'" 1
|
| 1164 |
+
ATOM 262 O "O3'" . G A 1 9 ? -8.172 -5.808 9.763 1.00 0.00 ? 9 G A "O3'" 1
|
| 1165 |
+
ATOM 263 C "C2'" . G A 1 9 ? -7.053 -4.184 11.312 1.00 0.00 ? 9 G A "C2'" 1
|
| 1166 |
+
ATOM 264 O "O2'" . G A 1 9 ? -8.364 -3.803 11.686 1.00 0.00 ? 9 G A "O2'" 1
|
| 1167 |
+
ATOM 265 C "C1'" . G A 1 9 ? -6.209 -4.513 12.557 1.00 0.00 ? 9 G A "C1'" 1
|
| 1168 |
+
ATOM 266 N N9 . G A 1 9 ? -4.919 -3.779 12.554 1.00 0.00 ? 9 G A N9 1
|
| 1169 |
+
ATOM 267 C C8 . G A 1 9 ? -3.651 -4.251 12.312 1.00 0.00 ? 9 G A C8 1
|
| 1170 |
+
ATOM 268 N N7 . G A 1 9 ? -2.714 -3.351 12.404 1.00 0.00 ? 9 G A N7 1
|
| 1171 |
+
ATOM 269 C C5 . G A 1 9 ? -3.400 -2.189 12.729 1.00 0.00 ? 9 G A C5 1
|
| 1172 |
+
ATOM 270 C C6 . G A 1 9 ? -2.910 -0.863 12.962 1.00 0.00 ? 9 G A C6 1
|
| 1173 |
+
ATOM 271 O O6 . G A 1 9 ? -1.748 -0.474 12.892 1.00 0.00 ? 9 G A O6 1
|
| 1174 |
+
ATOM 272 N N1 . G A 1 9 ? -3.924 0.044 13.296 1.00 0.00 ? 9 G A N1 1
|
| 1175 |
+
ATOM 273 C C2 . G A 1 9 ? -5.275 -0.288 13.359 1.00 0.00 ? 9 G A C2 1
|
| 1176 |
+
ATOM 274 N N2 . G A 1 9 ? -6.133 0.688 13.679 1.00 0.00 ? 9 G A N2 1
|
| 1177 |
+
ATOM 275 N N3 . G A 1 9 ? -5.736 -1.535 13.121 1.00 0.00 ? 9 G A N3 1
|
| 1178 |
+
ATOM 276 C C4 . G A 1 9 ? -4.756 -2.439 12.819 1.00 0.00 ? 9 G A C4 1
|
| 1179 |
+
ATOM 277 H "H5'" . G A 1 9 ? -7.091 -8.247 10.345 1.00 0.00 ? 9 G A "H5'" 1
|
| 1180 |
+
ATOM 278 H "H5''" . G A 1 9 ? -5.467 -7.567 10.402 1.00 0.00 ? 9 G A "H5''" 1
|
| 1181 |
+
ATOM 279 H "H4'" . G A 1 9 ? -7.817 -6.716 12.173 1.00 0.00 ? 9 G A "H4'" 1
|
| 1182 |
+
ATOM 280 H "H3'" . G A 1 9 ? -6.128 -5.517 9.938 1.00 0.00 ? 9 G A "H3'" 1
|
| 1183 |
+
ATOM 281 H "H2'" . G A 1 9 ? -6.616 -3.394 10.699 1.00 0.00 ? 9 G A "H2'" 1
|
| 1184 |
+
ATOM 282 H "HO2'" . G A 1 9 ? -8.395 -2.845 11.747 1.00 0.00 ? 9 G A "HO2'" 1
|
| 1185 |
+
ATOM 283 H "H1'" . G A 1 9 ? -6.756 -4.246 13.465 1.00 0.00 ? 9 G A "H1'" 1
|
| 1186 |
+
ATOM 284 H H8 . G A 1 9 ? -3.442 -5.283 12.071 1.00 0.00 ? 9 G A H8 1
|
| 1187 |
+
ATOM 285 H H1 . G A 1 9 ? -3.643 0.992 13.499 1.00 0.00 ? 9 G A H1 1
|
| 1188 |
+
ATOM 286 H H21 . G A 1 9 ? -5.793 1.621 13.861 1.00 0.00 ? 9 G A H21 1
|
| 1189 |
+
ATOM 287 H H22 . G A 1 9 ? -7.118 0.486 13.760 1.00 0.00 ? 9 G A H22 1
|
| 1190 |
+
ATOM 288 P P . U A 1 10 ? -8.464 -5.053 8.368 1.00 0.00 ? 10 U A P 1
|
| 1191 |
+
ATOM 289 O OP1 . U A 1 10 ? -9.722 -5.582 7.798 1.00 0.00 ? 10 U A OP1 1
|
| 1192 |
+
ATOM 290 O OP2 . U A 1 10 ? -7.224 -5.057 7.559 1.00 0.00 ? 10 U A OP2 1
|
| 1193 |
+
ATOM 291 O "O5'" . U A 1 10 ? -8.743 -3.560 8.892 1.00 0.00 ? 10 U A "O5'" 1
|
| 1194 |
+
ATOM 292 C "C5'" . U A 1 10 ? -8.756 -2.456 8.019 1.00 0.00 ? 10 U A "C5'" 1
|
| 1195 |
+
ATOM 293 C "C4'" . U A 1 10 ? -8.882 -1.157 8.824 1.00 0.00 ? 10 U A "C4'" 1
|
| 1196 |
+
ATOM 294 O "O4'" . U A 1 10 ? -8.069 -1.135 9.989 1.00 0.00 ? 10 U A "O4'" 1
|
| 1197 |
+
ATOM 295 C "C3'" . U A 1 10 ? -8.422 0.022 7.970 1.00 0.00 ? 10 U A "C3'" 1
|
| 1198 |
+
ATOM 296 O "O3'" . U A 1 10 ? -9.436 0.429 7.063 1.00 0.00 ? 10 U A "O3'" 1
|
| 1199 |
+
ATOM 297 C "C2'" . U A 1 10 ? -8.085 1.043 9.048 1.00 0.00 ? 10 U A "C2'" 1
|
| 1200 |
+
ATOM 298 O "O2'" . U A 1 10 ? -9.262 1.642 9.561 1.00 0.00 ? 10 U A "O2'" 1
|
| 1201 |
+
ATOM 299 C "C1'" . U A 1 10 ? -7.444 0.136 10.112 1.00 0.00 ? 10 U A "C1'" 1
|
| 1202 |
+
ATOM 300 N N1 . U A 1 10 ? -5.960 0.041 9.926 1.00 0.00 ? 10 U A N1 1
|
| 1203 |
+
ATOM 301 C C2 . U A 1 10 ? -5.184 1.117 10.381 1.00 0.00 ? 10 U A C2 1
|
| 1204 |
+
ATOM 302 O O2 . U A 1 10 ? -5.666 2.140 10.866 1.00 0.00 ? 10 U A O2 1
|
| 1205 |
+
ATOM 303 N N3 . U A 1 10 ? -3.804 0.975 10.263 1.00 0.00 ? 10 U A N3 1
|
| 1206 |
+
ATOM 304 C C4 . U A 1 10 ? -3.132 -0.115 9.715 1.00 0.00 ? 10 U A C4 1
|
| 1207 |
+
ATOM 305 O O4 . U A 1 10 ? -1.905 -0.132 9.672 1.00 0.00 ? 10 U A O4 1
|
| 1208 |
+
ATOM 306 C C5 . U A 1 10 ? -4.006 -1.167 9.225 1.00 0.00 ? 10 U A C5 1
|
| 1209 |
+
ATOM 307 C C6 . U A 1 10 ? -5.356 -1.063 9.339 1.00 0.00 ? 10 U A C6 1
|
| 1210 |
+
ATOM 308 H "H5'" . U A 1 10 ? -9.604 -2.540 7.338 1.00 0.00 ? 10 U A "H5'" 1
|
| 1211 |
+
ATOM 309 H "H5''" . U A 1 10 ? -7.833 -2.446 7.436 1.00 0.00 ? 10 U A "H5''" 1
|
| 1212 |
+
ATOM 310 H "H4'" . U A 1 10 ? -9.916 -1.019 9.150 1.00 0.00 ? 10 U A "H4'" 1
|
| 1213 |
+
ATOM 311 H "H3'" . U A 1 10 ? -7.497 -0.248 7.452 1.00 0.00 ? 10 U A "H3'" 1
|
| 1214 |
+
ATOM 312 H "H2'" . U A 1 10 ? -7.408 1.812 8.678 1.00 0.00 ? 10 U A "H2'" 1
|
| 1215 |
+
ATOM 313 H "HO2'" . U A 1 10 ? -9.133 2.592 9.596 1.00 0.00 ? 10 U A "HO2'" 1
|
| 1216 |
+
ATOM 314 H "H1'" . U A 1 10 ? -7.653 0.513 11.116 1.00 0.00 ? 10 U A "H1'" 1
|
| 1217 |
+
ATOM 315 H H3 . U A 1 10 ? -3.241 1.736 10.603 1.00 0.00 ? 10 U A H3 1
|
| 1218 |
+
ATOM 316 H H5 . U A 1 10 ? -3.572 -2.043 8.766 1.00 0.00 ? 10 U A H5 1
|
| 1219 |
+
ATOM 317 H H6 . U A 1 10 ? -5.955 -1.873 8.953 1.00 0.00 ? 10 U A H6 1
|
| 1220 |
+
ATOM 318 P P . A A 1 11 ? -9.096 1.089 5.627 1.00 0.00 ? 11 A A P 1
|
| 1221 |
+
ATOM 319 O OP1 . A A 1 11 ? -10.375 1.467 4.984 1.00 0.00 ? 11 A A OP1 1
|
| 1222 |
+
ATOM 320 O OP2 . A A 1 11 ? -8.159 0.189 4.917 1.00 0.00 ? 11 A A OP2 1
|
| 1223 |
+
ATOM 321 O "O5'" . A A 1 11 ? -8.298 2.439 6.016 1.00 0.00 ? 11 A A "O5'" 1
|
| 1224 |
+
ATOM 322 C "C5'" . A A 1 11 ? -8.965 3.600 6.480 1.00 0.00 ? 11 A A "C5'" 1
|
| 1225 |
+
ATOM 323 C "C4'" . A A 1 11 ? -7.952 4.682 6.871 1.00 0.00 ? 11 A A "C4'" 1
|
| 1226 |
+
ATOM 324 O "O4'" . A A 1 11 ? -7.083 4.227 7.893 1.00 0.00 ? 11 A A "O4'" 1
|
| 1227 |
+
ATOM 325 C "C3'" . A A 1 11 ? -7.040 5.123 5.724 1.00 0.00 ? 11 A A "C3'" 1
|
| 1228 |
+
ATOM 326 O "O3'" . A A 1 11 ? -7.707 6.002 4.827 1.00 0.00 ? 11 A A "O3'" 1
|
| 1229 |
+
ATOM 327 C "C2'" . A A 1 11 ? -5.915 5.787 6.517 1.00 0.00 ? 11 A A "C2'" 1
|
| 1230 |
+
ATOM 328 O "O2'" . A A 1 11 ? -6.257 7.111 6.884 1.00 0.00 ? 11 A A "O2'" 1
|
| 1231 |
+
ATOM 329 C "C1'" . A A 1 11 ? -5.840 4.897 7.767 1.00 0.00 ? 11 A A "C1'" 1
|
| 1232 |
+
ATOM 330 N N9 . A A 1 11 ? -4.726 3.924 7.655 1.00 0.00 ? 11 A A N9 1
|
| 1233 |
+
ATOM 331 C C8 . A A 1 11 ? -4.722 2.613 7.235 1.00 0.00 ? 11 A A C8 1
|
| 1234 |
+
ATOM 332 N N7 . A A 1 11 ? -3.560 2.026 7.320 1.00 0.00 ? 11 A A N7 1
|
| 1235 |
+
ATOM 333 C C5 . A A 1 11 ? -2.723 3.019 7.816 1.00 0.00 ? 11 A A C5 1
|
| 1236 |
+
ATOM 334 C C6 . A A 1 11 ? -1.345 3.062 8.161 1.00 0.00 ? 11 A A C6 1
|
| 1237 |
+
ATOM 335 N N6 . A A 1 11 ? -0.533 1.998 8.115 1.00 0.00 ? 11 A A N6 1
|
| 1238 |
+
ATOM 336 N N1 . A A 1 11 ? -0.822 4.242 8.569 1.00 0.00 ? 11 A A N1 1
|
| 1239 |
+
ATOM 337 C C2 . A A 1 11 ? -1.605 5.321 8.653 1.00 0.00 ? 11 A A C2 1
|
| 1240 |
+
ATOM 338 N N3 . A A 1 11 ? -2.912 5.399 8.389 1.00 0.00 ? 11 A A N3 1
|
| 1241 |
+
ATOM 339 C C4 . A A 1 11 ? -3.420 4.197 7.972 1.00 0.00 ? 11 A A C4 1
|
| 1242 |
+
ATOM 340 H "H5'" . A A 1 11 ? -9.582 3.363 7.348 1.00 0.00 ? 11 A A "H5'" 1
|
| 1243 |
+
ATOM 341 H "H5''" . A A 1 11 ? -9.605 3.992 5.687 1.00 0.00 ? 11 A A "H5''" 1
|
| 1244 |
+
ATOM 342 H "H4'" . A A 1 11 ? -8.493 5.549 7.257 1.00 0.00 ? 11 A A "H4'" 1
|
| 1245 |
+
ATOM 343 H "H3'" . A A 1 11 ? -6.650 4.240 5.211 1.00 0.00 ? 11 A A "H3'" 1
|
| 1246 |
+
ATOM 344 H "H2'" . A A 1 11 ? -4.985 5.801 5.955 1.00 0.00 ? 11 A A "H2'" 1
|
| 1247 |
+
ATOM 345 H "HO2'" . A A 1 11 ? -5.463 7.650 6.858 1.00 0.00 ? 11 A A "HO2'" 1
|
| 1248 |
+
ATOM 346 H "H1'" . A A 1 11 ? -5.683 5.500 8.665 1.00 0.00 ? 11 A A "H1'" 1
|
| 1249 |
+
ATOM 347 H H8 . A A 1 11 ? -5.603 2.100 6.877 1.00 0.00 ? 11 A A H8 1
|
| 1250 |
+
ATOM 348 H H61 . A A 1 11 ? 0.438 2.099 8.375 1.00 0.00 ? 11 A A H61 1
|
| 1251 |
+
ATOM 349 H H62 . A A 1 11 ? -0.900 1.088 7.873 1.00 0.00 ? 11 A A H62 1
|
| 1252 |
+
ATOM 350 H H2 . A A 1 11 ? -1.130 6.230 8.992 1.00 0.00 ? 11 A A H2 1
|
| 1253 |
+
ATOM 351 P P . C A 1 12 ? -7.147 6.330 3.341 1.00 0.00 ? 12 C A P 1
|
| 1254 |
+
ATOM 352 O OP1 . C A 1 12 ? -8.066 7.310 2.719 1.00 0.00 ? 12 C A OP1 1
|
| 1255 |
+
ATOM 353 O OP2 . C A 1 12 ? -6.886 5.042 2.660 1.00 0.00 ? 12 C A OP2 1
|
| 1256 |
+
ATOM 354 O "O5'" . C A 1 12 ? -5.722 7.057 3.585 1.00 0.00 ? 12 C A "O5'" 1
|
| 1257 |
+
ATOM 355 C "C5'" . C A 1 12 ? -5.601 8.436 3.898 1.00 0.00 ? 12 C A "C5'" 1
|
| 1258 |
+
ATOM 356 C "C4'" . C A 1 12 ? -4.136 8.777 4.209 1.00 0.00 ? 12 C A "C4'" 1
|
| 1259 |
+
ATOM 357 O "O4'" . C A 1 12 ? -3.626 7.931 5.225 1.00 0.00 ? 12 C A "O4'" 1
|
| 1260 |
+
ATOM 358 C "C3'" . C A 1 12 ? -3.197 8.600 3.013 1.00 0.00 ? 12 C A "C3'" 1
|
| 1261 |
+
ATOM 359 O "O3'" . C A 1 12 ? -3.261 9.709 2.124 1.00 0.00 ? 12 C A "O3'" 1
|
| 1262 |
+
ATOM 360 C "C2'" . C A 1 12 ? -1.849 8.468 3.722 1.00 0.00 ? 12 C A "C2'" 1
|
| 1263 |
+
ATOM 361 O "O2'" . C A 1 12 ? -1.287 9.736 4.005 1.00 0.00 ? 12 C A "O2'" 1
|
| 1264 |
+
ATOM 362 C "C1'" . C A 1 12 ? -2.229 7.761 5.034 1.00 0.00 ? 12 C A "C1'" 1
|
| 1265 |
+
ATOM 363 N N1 . C A 1 12 ? -1.833 6.319 4.991 1.00 0.00 ? 12 C A N1 1
|
| 1266 |
+
ATOM 364 C C2 . C A 1 12 ? -0.535 5.983 5.410 1.00 0.00 ? 12 C A C2 1
|
| 1267 |
+
ATOM 365 O O2 . C A 1 12 ? 0.259 6.848 5.770 1.00 0.00 ? 12 C A O2 1
|
| 1268 |
+
ATOM 366 N N3 . C A 1 12 ? -0.171 4.664 5.411 1.00 0.00 ? 12 C A N3 1
|
| 1269 |
+
ATOM 367 C C4 . C A 1 12 ? -1.011 3.698 4.997 1.00 0.00 ? 12 C A C4 1
|
| 1270 |
+
ATOM 368 N N4 . C A 1 12 ? -0.603 2.425 5.064 1.00 0.00 ? 12 C A N4 1
|
| 1271 |
+
ATOM 369 C C5 . C A 1 12 ? -2.327 4.022 4.500 1.00 0.00 ? 12 C A C5 1
|
| 1272 |
+
ATOM 370 C C6 . C A 1 12 ? -2.682 5.335 4.511 1.00 0.00 ? 12 C A C6 1
|
| 1273 |
+
ATOM 371 H "H5'" . C A 1 12 ? -6.216 8.686 4.764 1.00 0.00 ? 12 C A "H5'" 1
|
| 1274 |
+
ATOM 372 H "H5''" . C A 1 12 ? -5.931 9.037 3.049 1.00 0.00 ? 12 C A "H5''" 1
|
| 1275 |
+
ATOM 373 H "H4'" . C A 1 12 ? -4.072 9.808 4.566 1.00 0.00 ? 12 C A "H4'" 1
|
| 1276 |
+
ATOM 374 H "H3'" . C A 1 12 ? -3.436 7.663 2.505 1.00 0.00 ? 12 C A "H3'" 1
|
| 1277 |
+
ATOM 375 H "H2'" . C A 1 12 ? -1.145 7.894 3.121 1.00 0.00 ? 12 C A "H2'" 1
|
| 1278 |
+
ATOM 376 H "HO2'" . C A 1 12 ? -0.341 9.692 3.847 1.00 0.00 ? 12 C A "HO2'" 1
|
| 1279 |
+
ATOM 377 H "H1'" . C A 1 12 ? -1.752 8.253 5.885 1.00 0.00 ? 12 C A "H1'" 1
|
| 1280 |
+
ATOM 378 H H41 . C A 1 12 ? 0.324 2.220 5.411 1.00 0.00 ? 12 C A H41 1
|
| 1281 |
+
ATOM 379 H H42 . C A 1 12 ? -1.218 1.673 4.790 1.00 0.00 ? 12 C A H42 1
|
| 1282 |
+
ATOM 380 H H5 . C A 1 12 ? -3.022 3.281 4.133 1.00 0.00 ? 12 C A H5 1
|
| 1283 |
+
ATOM 381 H H6 . C A 1 12 ? -3.652 5.602 4.125 1.00 0.00 ? 12 C A H6 1
|
| 1284 |
+
ATOM 382 P P . C A 1 13 ? -2.672 9.657 0.615 1.00 0.00 ? 13 C A P 1
|
| 1285 |
+
ATOM 383 O OP1 . C A 1 13 ? -2.805 11.012 0.033 1.00 0.00 ? 13 C A OP1 1
|
| 1286 |
+
ATOM 384 O OP2 . C A 1 13 ? -3.297 8.506 -0.073 1.00 0.00 ? 13 C A OP2 1
|
| 1287 |
+
ATOM 385 O "O5'" . C A 1 13 ? -1.096 9.330 0.787 1.00 0.00 ? 13 C A "O5'" 1
|
| 1288 |
+
ATOM 386 C "C5'" . C A 1 13 ? -0.110 10.334 0.988 1.00 0.00 ? 13 C A "C5'" 1
|
| 1289 |
+
ATOM 387 C "C4'" . C A 1 13 ? 1.276 9.682 1.113 1.00 0.00 ? 13 C A "C4'" 1
|
| 1290 |
+
ATOM 388 O "O4'" . C A 1 13 ? 1.281 8.709 2.140 1.00 0.00 ? 13 C A "O4'" 1
|
| 1291 |
+
ATOM 389 C "C3'" . C A 1 13 ? 1.694 8.923 -0.149 1.00 0.00 ? 13 C A "C3'" 1
|
| 1292 |
+
ATOM 390 O "O3'" . C A 1 13 ? 2.178 9.796 -1.163 1.00 0.00 ? 13 C A "O3'" 1
|
| 1293 |
+
ATOM 391 C "C2'" . C A 1 13 ? 2.730 7.941 0.402 1.00 0.00 ? 13 C A "C2'" 1
|
| 1294 |
+
ATOM 392 O "O2'" . C A 1 13 ? 4.054 8.427 0.314 1.00 0.00 ? 13 C A "O2'" 1
|
| 1295 |
+
ATOM 393 C "C1'" . C A 1 13 ? 2.336 7.796 1.883 1.00 0.00 ? 13 C A "C1'" 1
|
| 1296 |
+
ATOM 394 N N1 . C A 1 13 ? 1.950 6.382 2.164 1.00 0.00 ? 13 C A N1 1
|
| 1297 |
+
ATOM 395 C C2 . C A 1 13 ? 2.970 5.479 2.505 1.00 0.00 ? 13 C A C2 1
|
| 1298 |
+
ATOM 396 O O2 . C A 1 13 ? 4.129 5.860 2.653 1.00 0.00 ? 13 C A O2 1
|
| 1299 |
+
ATOM 397 N N3 . C A 1 13 ? 2.649 4.158 2.656 1.00 0.00 ? 13 C A N3 1
|
| 1300 |
+
ATOM 398 C C4 . C A 1 13 ? 1.395 3.712 2.449 1.00 0.00 ? 13 C A C4 1
|
| 1301 |
+
ATOM 399 N N4 . C A 1 13 ? 1.144 2.407 2.603 1.00 0.00 ? 13 C A N4 1
|
| 1302 |
+
ATOM 400 C C5 . C A 1 13 ? 0.344 4.611 2.034 1.00 0.00 ? 13 C A C5 1
|
| 1303 |
+
ATOM 401 C C6 . C A 1 13 ? 0.671 5.923 1.905 1.00 0.00 ? 13 C A C6 1
|
| 1304 |
+
ATOM 402 H "H5'" . C A 1 13 ? -0.322 10.908 1.891 1.00 0.00 ? 13 C A "H5'" 1
|
| 1305 |
+
ATOM 403 H "H5''" . C A 1 13 ? -0.095 11.014 0.135 1.00 0.00 ? 13 C A "H5''" 1
|
| 1306 |
+
ATOM 404 H "H4'" . C A 1 13 ? 2.025 10.441 1.348 1.00 0.00 ? 13 C A "H4'" 1
|
| 1307 |
+
ATOM 405 H "H3'" . C A 1 13 ? 0.835 8.354 -0.510 1.00 0.00 ? 13 C A "H3'" 1
|
| 1308 |
+
ATOM 406 H "H2'" . C A 1 13 ? 2.654 7.002 -0.145 1.00 0.00 ? 13 C A "H2'" 1
|
| 1309 |
+
ATOM 407 H "HO2'" . C A 1 13 ? 4.646 7.743 0.638 1.00 0.00 ? 13 C A "HO2'" 1
|
| 1310 |
+
ATOM 408 H "H1'" . C A 1 13 ? 3.156 8.111 2.533 1.00 0.00 ? 13 C A "H1'" 1
|
| 1311 |
+
ATOM 409 H H41 . C A 1 13 ? 1.887 1.787 2.886 1.00 0.00 ? 13 C A H41 1
|
| 1312 |
+
ATOM 410 H H42 . C A 1 13 ? 0.213 2.046 2.455 1.00 0.00 ? 13 C A H42 1
|
| 1313 |
+
ATOM 411 H H5 . C A 1 13 ? -0.665 4.289 1.821 1.00 0.00 ? 13 C A H5 1
|
| 1314 |
+
ATOM 412 H H6 . C A 1 13 ? -0.085 6.611 1.558 1.00 0.00 ? 13 C A H6 1
|
| 1315 |
+
ATOM 413 P P . A A 1 14 ? 2.458 9.303 -2.684 1.00 0.00 ? 14 A A P 1
|
| 1316 |
+
ATOM 414 O OP1 . A A 1 14 ? 2.669 10.509 -3.517 1.00 0.00 ? 14 A A OP1 1
|
| 1317 |
+
ATOM 415 O OP2 . A A 1 14 ? 1.400 8.338 -3.059 1.00 0.00 ? 14 A A OP2 1
|
| 1318 |
+
ATOM 416 O "O5'" . A A 1 14 ? 3.855 8.492 -2.607 1.00 0.00 ? 14 A A "O5'" 1
|
| 1319 |
+
ATOM 417 C "C5'" . A A 1 14 ? 5.120 9.131 -2.678 1.00 0.00 ? 14 A A "C5'" 1
|
| 1320 |
+
ATOM 418 C "C4'" . A A 1 14 ? 6.242 8.089 -2.582 1.00 0.00 ? 14 A A "C4'" 1
|
| 1321 |
+
ATOM 419 O "O4'" . A A 1 14 ? 6.184 7.365 -1.366 1.00 0.00 ? 14 A A "O4'" 1
|
| 1322 |
+
ATOM 420 C "C3'" . A A 1 14 ? 6.200 7.038 -3.695 1.00 0.00 ? 14 A A "C3'" 1
|
| 1323 |
+
ATOM 421 O "O3'" . A A 1 14 ? 6.706 7.526 -4.924 1.00 0.00 ? 14 A A "O3'" 1
|
| 1324 |
+
ATOM 422 C "C2'" . A A 1 14 ? 7.043 5.928 -3.069 1.00 0.00 ? 14 A A "C2'" 1
|
| 1325 |
+
ATOM 423 O "O2'" . A A 1 14 ? 8.424 6.204 -3.229 1.00 0.00 ? 14 A A "O2'" 1
|
| 1326 |
+
ATOM 424 C "C1'" . A A 1 14 ? 6.656 6.042 -1.583 1.00 0.00 ? 14 A A "C1'" 1
|
| 1327 |
+
ATOM 425 N N9 . A A 1 14 ? 5.597 5.066 -1.212 1.00 0.00 ? 14 A A N9 1
|
| 1328 |
+
ATOM 426 C C8 . A A 1 14 ? 4.235 5.155 -1.373 1.00 0.00 ? 14 A A C8 1
|
| 1329 |
+
ATOM 427 N N7 . A A 1 14 ? 3.564 4.151 -0.879 1.00 0.00 ? 14 A A N7 1
|
| 1330 |
+
ATOM 428 C C5 . A A 1 14 ? 4.550 3.304 -0.390 1.00 0.00 ? 14 A A C5 1
|
| 1331 |
+
ATOM 429 C C6 . A A 1 14 ? 4.519 2.028 0.235 1.00 0.00 ? 14 A A C6 1
|
| 1332 |
+
ATOM 430 N N6 . A A 1 14 ? 3.381 1.392 0.544 1.00 0.00 ? 14 A A N6 1
|
| 1333 |
+
ATOM 431 N N1 . A A 1 14 ? 5.696 1.421 0.537 1.00 0.00 ? 14 A A N1 1
|
| 1334 |
+
ATOM 432 C C2 . A A 1 14 ? 6.842 2.054 0.257 1.00 0.00 ? 14 A A C2 1
|
| 1335 |
+
ATOM 433 N N3 . A A 1 14 ? 7.000 3.260 -0.301 1.00 0.00 ? 14 A A N3 1
|
| 1336 |
+
ATOM 434 C C4 . A A 1 14 ? 5.800 3.843 -0.613 1.00 0.00 ? 14 A A C4 1
|
| 1337 |
+
ATOM 435 H "H5'" . A A 1 14 ? 5.229 9.856 -1.869 1.00 0.00 ? 14 A A "H5'" 1
|
| 1338 |
+
ATOM 436 H "H5''" . A A 1 14 ? 5.217 9.650 -3.634 1.00 0.00 ? 14 A A "H5''" 1
|
| 1339 |
+
ATOM 437 H "H4'" . A A 1 14 ? 7.207 8.603 -2.610 1.00 0.00 ? 14 A A "H4'" 1
|
| 1340 |
+
ATOM 438 H "H3'" . A A 1 14 ? 5.184 6.671 -3.851 1.00 0.00 ? 14 A A "H3'" 1
|
| 1341 |
+
ATOM 439 H "HO3'" . A A 1 14 ? 7.285 8.272 -4.745 1.00 0.00 ? 14 A A "HO3'" 1
|
| 1342 |
+
ATOM 440 H "H2'" . A A 1 14 ? 6.812 4.948 -3.493 1.00 0.00 ? 14 A A "H2'" 1
|
| 1343 |
+
ATOM 441 H "HO2'" . A A 1 14 ? 8.896 5.894 -2.453 1.00 0.00 ? 14 A A "HO2'" 1
|
| 1344 |
+
ATOM 442 H "H1'" . A A 1 14 ? 7.523 5.878 -0.940 1.00 0.00 ? 14 A A "H1'" 1
|
| 1345 |
+
ATOM 443 H H8 . A A 1 14 ? 3.752 5.988 -1.858 1.00 0.00 ? 14 A A H8 1
|
| 1346 |
+
ATOM 444 H H61 . A A 1 14 ? 3.418 0.498 1.011 1.00 0.00 ? 14 A A H61 1
|
| 1347 |
+
ATOM 445 H H62 . A A 1 14 ? 2.490 1.824 0.345 1.00 0.00 ? 14 A A H62 1
|
| 1348 |
+
ATOM 446 H H2 . A A 1 14 ? 7.750 1.530 0.519 1.00 0.00 ? 14 A A H2 1
|
| 1349 |
+
#
|
structures/1lu3.cif
ADDED
|
@@ -0,0 +1,1814 @@
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|
|
|
|
| 1 |
+
data_1LU3
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1LU3
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.386
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 1LU3 pdb_00001lu3 10.2210/pdb1lu3/pdb
|
| 15 |
+
RCSB RCSB016269 ? ?
|
| 16 |
+
WWPDB D_1000016269 ? ?
|
| 17 |
+
#
|
| 18 |
+
loop_
|
| 19 |
+
_pdbx_audit_revision_history.ordinal
|
| 20 |
+
_pdbx_audit_revision_history.data_content_type
|
| 21 |
+
_pdbx_audit_revision_history.major_revision
|
| 22 |
+
_pdbx_audit_revision_history.minor_revision
|
| 23 |
+
_pdbx_audit_revision_history.revision_date
|
| 24 |
+
1 'Structure model' 1 0 2002-06-26
|
| 25 |
+
2 'Structure model' 1 1 2008-04-28
|
| 26 |
+
3 'Structure model' 1 2 2011-07-13
|
| 27 |
+
4 'Structure model' 1 3 2018-07-18
|
| 28 |
+
5 'Structure model' 1 4 2024-02-14
|
| 29 |
+
#
|
| 30 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 32 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 33 |
+
_pdbx_audit_revision_details.provider repository
|
| 34 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 35 |
+
_pdbx_audit_revision_details.description ?
|
| 36 |
+
_pdbx_audit_revision_details.details ?
|
| 37 |
+
#
|
| 38 |
+
loop_
|
| 39 |
+
_pdbx_audit_revision_group.ordinal
|
| 40 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 41 |
+
_pdbx_audit_revision_group.data_content_type
|
| 42 |
+
_pdbx_audit_revision_group.group
|
| 43 |
+
1 2 'Structure model' 'Version format compliance'
|
| 44 |
+
2 3 'Structure model' 'Version format compliance'
|
| 45 |
+
3 4 'Structure model' 'Data collection'
|
| 46 |
+
4 5 'Structure model' 'Data collection'
|
| 47 |
+
5 5 'Structure model' 'Database references'
|
| 48 |
+
6 5 'Structure model' 'Derived calculations'
|
| 49 |
+
7 5 'Structure model' 'Refinement description'
|
| 50 |
+
#
|
| 51 |
+
loop_
|
| 52 |
+
_pdbx_audit_revision_category.ordinal
|
| 53 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 54 |
+
_pdbx_audit_revision_category.data_content_type
|
| 55 |
+
_pdbx_audit_revision_category.category
|
| 56 |
+
1 4 'Structure model' em_image_scans
|
| 57 |
+
2 4 'Structure model' em_software
|
| 58 |
+
3 5 'Structure model' chem_comp_atom
|
| 59 |
+
4 5 'Structure model' chem_comp_bond
|
| 60 |
+
5 5 'Structure model' database_2
|
| 61 |
+
6 5 'Structure model' em_3d_fitting_list
|
| 62 |
+
7 5 'Structure model' pdbx_initial_refinement_model
|
| 63 |
+
8 5 'Structure model' struct_conn
|
| 64 |
+
#
|
| 65 |
+
loop_
|
| 66 |
+
_pdbx_audit_revision_item.ordinal
|
| 67 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 68 |
+
_pdbx_audit_revision_item.data_content_type
|
| 69 |
+
_pdbx_audit_revision_item.item
|
| 70 |
+
1 4 'Structure model' '_em_software.image_processing_id'
|
| 71 |
+
2 5 'Structure model' '_database_2.pdbx_DOI'
|
| 72 |
+
3 5 'Structure model' '_database_2.pdbx_database_accession'
|
| 73 |
+
4 5 'Structure model' '_em_3d_fitting_list.accession_code'
|
| 74 |
+
5 5 'Structure model' '_em_3d_fitting_list.initial_refinement_model_id'
|
| 75 |
+
6 5 'Structure model' '_em_3d_fitting_list.source_name'
|
| 76 |
+
7 5 'Structure model' '_em_3d_fitting_list.type'
|
| 77 |
+
8 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'
|
| 78 |
+
#
|
| 79 |
+
_pdbx_database_status.status_code REL
|
| 80 |
+
_pdbx_database_status.entry_id 1LU3
|
| 81 |
+
_pdbx_database_status.recvd_initial_deposition_date 2002-05-21
|
| 82 |
+
_pdbx_database_status.deposit_site RCSB
|
| 83 |
+
_pdbx_database_status.process_site RCSB
|
| 84 |
+
_pdbx_database_status.SG_entry .
|
| 85 |
+
_pdbx_database_status.status_code_sf ?
|
| 86 |
+
_pdbx_database_status.status_code_mr ?
|
| 87 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 88 |
+
_pdbx_database_status.status_code_cs ?
|
| 89 |
+
_pdbx_database_status.methods_development_category ?
|
| 90 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 91 |
+
#
|
| 92 |
+
loop_
|
| 93 |
+
_pdbx_database_related.db_name
|
| 94 |
+
_pdbx_database_related.db_id
|
| 95 |
+
_pdbx_database_related.details
|
| 96 |
+
_pdbx_database_related.content_type
|
| 97 |
+
PDB 1LS2
|
| 98 |
+
;1ls2 is Fitting of EF-Tu and tRNA in the low resolution cryo-EM map of an EF-Tu ternary complex (GDP and Kirromycin) bound to E.coli 70S ribosome
|
| 99 |
+
;
|
| 100 |
+
unspecified
|
| 101 |
+
PDB 1EFC '1efc is Intact Elongation Factor from E.coli' unspecified
|
| 102 |
+
PDB 1TTT '1ttt is Phe-tRNA, Elongation Factor EF-Tu: GDPNP Ternary Complex' unspecified
|
| 103 |
+
PDB 1EXM
|
| 104 |
+
'1exm is Crystal Structure of Thermus Thermophilus Elongation Factor Tu(EF-Tu) in complex with the GTP Analog GPPNHP' unspecified
|
| 105 |
+
EMDB EMD-1045 . 'associated EM volume'
|
| 106 |
+
#
|
| 107 |
+
loop_
|
| 108 |
+
_audit_author.name
|
| 109 |
+
_audit_author.pdbx_ordinal
|
| 110 |
+
'Valle, M.' 1
|
| 111 |
+
'Sengupta, J.' 2
|
| 112 |
+
'Swami, N.K.' 3
|
| 113 |
+
'Grassucci, R.A.' 4
|
| 114 |
+
'Burkhardt, N.' 5
|
| 115 |
+
'Nierhaus, K.H.' 6
|
| 116 |
+
'Agrawal, R.K.' 7
|
| 117 |
+
'Frank, J.' 8
|
| 118 |
+
#
|
| 119 |
+
loop_
|
| 120 |
+
_citation.id
|
| 121 |
+
_citation.title
|
| 122 |
+
_citation.journal_abbrev
|
| 123 |
+
_citation.journal_volume
|
| 124 |
+
_citation.page_first
|
| 125 |
+
_citation.page_last
|
| 126 |
+
_citation.year
|
| 127 |
+
_citation.journal_id_ASTM
|
| 128 |
+
_citation.country
|
| 129 |
+
_citation.journal_id_ISSN
|
| 130 |
+
_citation.journal_id_CSD
|
| 131 |
+
_citation.book_publisher
|
| 132 |
+
_citation.pdbx_database_id_PubMed
|
| 133 |
+
_citation.pdbx_database_id_DOI
|
| 134 |
+
primary 'Cryo-EM reveals an active role for aminoacyl-tRNA in the accommodation process.' 'EMBO J.' 21
|
| 135 |
+
3557 3567 2002 EMJODG UK 0261-4189 0897 ? 12093756 10.1093/emboj/cdf326
|
| 136 |
+
1 'Crystal structure of intact elongation factor EF-Tu from E.coli in GDP conformation at 2.05A resolution' J.Mol.Biol. 285
|
| 137 |
+
1245 1256 1999 JMOBAK UK 0022-2836 0070 ? ? ?
|
| 138 |
+
2 'Crystal structure of the ternary complex of the Phe-tRNAPhe, EF-Tu, and a GTP analog' Science 270
|
| 139 |
+
1464 1472 1995 SCIEAS US 0036-8075 0038 ? ? ?
|
| 140 |
+
3 'Visualization of elongation factor Tu on E.coli ribosome' Nature 389
|
| 141 |
+
403 406 1997 NATUAS UK 0028-0836 0006 ? ? ?
|
| 142 |
+
4 'The crystal structure of elongation factor EF-Tu from Thermus aquaticus in the GTP conformation' Structure 1
|
| 143 |
+
35 50 1993 STRUE6 UK 0969-2126 2005 ? ? ?
|
| 144 |
+
5 'Helix unwinding in the effector region of elongation factor EF-Tu-GDP' Structure 4
|
| 145 |
+
1141 1151 1996 STRUE6 UK 0969-2126 2005 ? ? ?
|
| 146 |
+
#
|
| 147 |
+
loop_
|
| 148 |
+
_citation_author.citation_id
|
| 149 |
+
_citation_author.name
|
| 150 |
+
_citation_author.ordinal
|
| 151 |
+
_citation_author.identifier_ORCID
|
| 152 |
+
primary 'Valle, M.' 1 ?
|
| 153 |
+
primary 'Sengupta, J.' 2 ?
|
| 154 |
+
primary 'Swami, N.K.' 3 ?
|
| 155 |
+
primary 'Grassucci, R.A.' 4 ?
|
| 156 |
+
primary 'Burkhardt, N.' 5 ?
|
| 157 |
+
primary 'Nierhaus, K.H.' 6 ?
|
| 158 |
+
primary 'Agrawal, R.K.' 7 ?
|
| 159 |
+
primary 'Frank, J.' 8 ?
|
| 160 |
+
1 'Song, H.' 9 ?
|
| 161 |
+
1 'Parsons, M.R.' 10 ?
|
| 162 |
+
1 'Rowsell, S.' 11 ?
|
| 163 |
+
1 'Leonard, G.' 12 ?
|
| 164 |
+
1 'Phillips, S.E.' 13 ?
|
| 165 |
+
2 'Nissen, P.' 14 ?
|
| 166 |
+
2 'Kjeldgaard, M.' 15 ?
|
| 167 |
+
2 'Thirup, S.' 16 ?
|
| 168 |
+
2 'Polekhina, G.' 17 ?
|
| 169 |
+
2 'Reshetnikova, L.' 18 ?
|
| 170 |
+
2 'Clark, B.F.C.' 19 ?
|
| 171 |
+
2 'Nyborg, J.' 20 ?
|
| 172 |
+
3 'Stark, H.' 21 ?
|
| 173 |
+
3 'Rodnina, M.V.' 22 ?
|
| 174 |
+
3 'Rinke-Appel, J.' 23 ?
|
| 175 |
+
3 'Brimacombe, R.' 24 ?
|
| 176 |
+
3 'Wintermeyer, W.' 25 ?
|
| 177 |
+
3 'van Heel, M.' 26 ?
|
| 178 |
+
4 'Kjeldgaard, M.' 27 ?
|
| 179 |
+
4 'Nissen, P.' 28 ?
|
| 180 |
+
4 'Thirup, S.' 29 ?
|
| 181 |
+
4 'Nyborg, J.' 30 ?
|
| 182 |
+
5 'Polekhina, G.' 31 ?
|
| 183 |
+
5 'Thirup, S.' 32 ?
|
| 184 |
+
5 'Kjeldgaard, M.' 33 ?
|
| 185 |
+
5 'Nissen, P.' 34 ?
|
| 186 |
+
5 'Lippmann, C.' 35 ?
|
| 187 |
+
5 'Nyborg, J.' 36 ?
|
| 188 |
+
#
|
| 189 |
+
_entity.id 1
|
| 190 |
+
_entity.type polymer
|
| 191 |
+
_entity.src_method nat
|
| 192 |
+
_entity.pdbx_description 'PHENYLALANINE TRANSFER RNA'
|
| 193 |
+
_entity.formula_weight 5466.326
|
| 194 |
+
_entity.pdbx_number_of_molecules 1
|
| 195 |
+
_entity.pdbx_ec ?
|
| 196 |
+
_entity.pdbx_mutation ?
|
| 197 |
+
_entity.pdbx_fragment 'anticodon loop region'
|
| 198 |
+
_entity.details ?
|
| 199 |
+
#
|
| 200 |
+
_entity_poly.entity_id 1
|
| 201 |
+
_entity_poly.type polyribonucleotide
|
| 202 |
+
_entity_poly.nstd_linkage no
|
| 203 |
+
_entity_poly.nstd_monomer yes
|
| 204 |
+
_entity_poly.pdbx_seq_one_letter_code 'GCCAGACUGAAGA(PSU)CUG'
|
| 205 |
+
_entity_poly.pdbx_seq_one_letter_code_can GCCAGACUGAAGAUCUG
|
| 206 |
+
_entity_poly.pdbx_strand_id A
|
| 207 |
+
_entity_poly.pdbx_target_identifier ?
|
| 208 |
+
#
|
| 209 |
+
loop_
|
| 210 |
+
_entity_poly_seq.entity_id
|
| 211 |
+
_entity_poly_seq.num
|
| 212 |
+
_entity_poly_seq.mon_id
|
| 213 |
+
_entity_poly_seq.hetero
|
| 214 |
+
1 1 G n
|
| 215 |
+
1 2 C n
|
| 216 |
+
1 3 C n
|
| 217 |
+
1 4 A n
|
| 218 |
+
1 5 G n
|
| 219 |
+
1 6 A n
|
| 220 |
+
1 7 C n
|
| 221 |
+
1 8 U n
|
| 222 |
+
1 9 G n
|
| 223 |
+
1 10 A n
|
| 224 |
+
1 11 A n
|
| 225 |
+
1 12 G n
|
| 226 |
+
1 13 A n
|
| 227 |
+
1 14 PSU n
|
| 228 |
+
1 15 C n
|
| 229 |
+
1 16 U n
|
| 230 |
+
1 17 G n
|
| 231 |
+
#
|
| 232 |
+
_entity_src_nat.entity_id 1
|
| 233 |
+
_entity_src_nat.pdbx_src_id 1
|
| 234 |
+
_entity_src_nat.pdbx_alt_source_flag sample
|
| 235 |
+
_entity_src_nat.pdbx_beg_seq_num ?
|
| 236 |
+
_entity_src_nat.pdbx_end_seq_num ?
|
| 237 |
+
_entity_src_nat.common_name
|
| 238 |
+
;baker's yeast
|
| 239 |
+
;
|
| 240 |
+
_entity_src_nat.pdbx_organism_scientific 'Saccharomyces cerevisiae'
|
| 241 |
+
_entity_src_nat.pdbx_ncbi_taxonomy_id 4932
|
| 242 |
+
_entity_src_nat.genus Saccharomyces
|
| 243 |
+
_entity_src_nat.species ?
|
| 244 |
+
_entity_src_nat.strain ?
|
| 245 |
+
_entity_src_nat.tissue ?
|
| 246 |
+
_entity_src_nat.tissue_fraction ?
|
| 247 |
+
_entity_src_nat.pdbx_secretion ?
|
| 248 |
+
_entity_src_nat.pdbx_fragment ?
|
| 249 |
+
_entity_src_nat.pdbx_variant ?
|
| 250 |
+
_entity_src_nat.pdbx_cell_line ?
|
| 251 |
+
_entity_src_nat.pdbx_atcc ?
|
| 252 |
+
_entity_src_nat.pdbx_cellular_location ?
|
| 253 |
+
_entity_src_nat.pdbx_organ ?
|
| 254 |
+
_entity_src_nat.pdbx_organelle ?
|
| 255 |
+
_entity_src_nat.pdbx_cell ?
|
| 256 |
+
_entity_src_nat.pdbx_plasmid_name ?
|
| 257 |
+
_entity_src_nat.pdbx_plasmid_details ?
|
| 258 |
+
_entity_src_nat.details ?
|
| 259 |
+
#
|
| 260 |
+
loop_
|
| 261 |
+
_chem_comp.id
|
| 262 |
+
_chem_comp.type
|
| 263 |
+
_chem_comp.mon_nstd_flag
|
| 264 |
+
_chem_comp.name
|
| 265 |
+
_chem_comp.pdbx_synonyms
|
| 266 |
+
_chem_comp.formula
|
| 267 |
+
_chem_comp.formula_weight
|
| 268 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 269 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 270 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 271 |
+
PSU 'RNA linking' n "PSEUDOURIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 272 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 273 |
+
#
|
| 274 |
+
loop_
|
| 275 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 276 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 277 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 278 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 279 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 280 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 281 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 282 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 283 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 284 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 285 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 286 |
+
_pdbx_poly_seq_scheme.hetero
|
| 287 |
+
A 1 1 G 1 26 26 G G A . n
|
| 288 |
+
A 1 2 C 2 27 27 C C A . n
|
| 289 |
+
A 1 3 C 3 28 28 C C A . n
|
| 290 |
+
A 1 4 A 4 29 29 A A A . n
|
| 291 |
+
A 1 5 G 5 30 30 G G A . n
|
| 292 |
+
A 1 6 A 6 31 31 A A A . n
|
| 293 |
+
A 1 7 C 7 32 32 C C A . n
|
| 294 |
+
A 1 8 U 8 33 33 U U A . n
|
| 295 |
+
A 1 9 G 9 34 34 G G A . n
|
| 296 |
+
A 1 10 A 10 35 35 A A A . n
|
| 297 |
+
A 1 11 A 11 36 36 A A A . n
|
| 298 |
+
A 1 12 G 12 37 37 G G A . n
|
| 299 |
+
A 1 13 A 13 38 38 A A A . n
|
| 300 |
+
A 1 14 PSU 14 39 39 PSU PSU A . n
|
| 301 |
+
A 1 15 C 15 40 40 C C A . n
|
| 302 |
+
A 1 16 U 16 41 41 U U A . n
|
| 303 |
+
A 1 17 G 17 42 42 G G A . n
|
| 304 |
+
#
|
| 305 |
+
_exptl.entry_id 1LU3
|
| 306 |
+
_exptl.method 'ELECTRON MICROSCOPY'
|
| 307 |
+
_exptl.crystals_number ?
|
| 308 |
+
#
|
| 309 |
+
_refine.entry_id 1LU3
|
| 310 |
+
_refine.ls_R_factor_all ?
|
| 311 |
+
_refine.ls_R_factor_obs ?
|
| 312 |
+
_refine.ls_R_factor_R_work ?
|
| 313 |
+
_refine.ls_d_res_high 16.8
|
| 314 |
+
_refine.ls_d_res_low ?
|
| 315 |
+
_refine.ls_number_reflns_obs ?
|
| 316 |
+
_refine.ls_percent_reflns_obs ?
|
| 317 |
+
_refine.ls_number_reflns_all ?
|
| 318 |
+
_refine.pdbx_ls_sigma_F ?
|
| 319 |
+
_refine.pdbx_ls_sigma_I ?
|
| 320 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 321 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 322 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 323 |
+
_refine.ls_number_parameters ?
|
| 324 |
+
_refine.ls_number_restraints ?
|
| 325 |
+
_refine.ls_R_factor_R_free ?
|
| 326 |
+
_refine.ls_number_reflns_R_free ?
|
| 327 |
+
_refine.ls_percent_reflns_R_free ?
|
| 328 |
+
_refine.ls_R_factor_R_free_error ?
|
| 329 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 330 |
+
_refine.pdbx_method_to_determine_struct ?
|
| 331 |
+
_refine.pdbx_starting_model ?
|
| 332 |
+
_refine.pdbx_isotropic_thermal_model ?
|
| 333 |
+
_refine.B_iso_mean ?
|
| 334 |
+
_refine.aniso_B[1][1] ?
|
| 335 |
+
_refine.aniso_B[1][2] ?
|
| 336 |
+
_refine.aniso_B[1][3] ?
|
| 337 |
+
_refine.aniso_B[2][2] ?
|
| 338 |
+
_refine.aniso_B[2][3] ?
|
| 339 |
+
_refine.aniso_B[3][3] ?
|
| 340 |
+
_refine.pdbx_ls_cross_valid_method ?
|
| 341 |
+
_refine.pdbx_R_Free_selection_details ?
|
| 342 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 343 |
+
_refine.pdbx_stereochemistry_target_values ?
|
| 344 |
+
_refine.solvent_model_details ?
|
| 345 |
+
_refine.solvent_model_param_bsol ?
|
| 346 |
+
_refine.solvent_model_param_ksol ?
|
| 347 |
+
_refine.occupancy_max ?
|
| 348 |
+
_refine.occupancy_min ?
|
| 349 |
+
_refine.overall_SU_B ?
|
| 350 |
+
_refine.overall_SU_ML ?
|
| 351 |
+
_refine.pdbx_overall_ESU_R ?
|
| 352 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 353 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 354 |
+
_refine.details ?
|
| 355 |
+
_refine.B_iso_min ?
|
| 356 |
+
_refine.B_iso_max ?
|
| 357 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 358 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 359 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 360 |
+
_refine.overall_SU_R_free ?
|
| 361 |
+
_refine.pdbx_overall_phase_error ?
|
| 362 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 363 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 364 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 365 |
+
_refine.pdbx_refine_id 'ELECTRON MICROSCOPY'
|
| 366 |
+
_refine.pdbx_diffrn_id ?
|
| 367 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 368 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 369 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 370 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 371 |
+
#
|
| 372 |
+
_refine_hist.pdbx_refine_id 'ELECTRON MICROSCOPY'
|
| 373 |
+
_refine_hist.cycle_id LAST
|
| 374 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 375 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 365
|
| 376 |
+
_refine_hist.pdbx_number_atoms_ligand 0
|
| 377 |
+
_refine_hist.number_atoms_solvent 0
|
| 378 |
+
_refine_hist.number_atoms_total 365
|
| 379 |
+
_refine_hist.d_res_high 16.8
|
| 380 |
+
_refine_hist.d_res_low .
|
| 381 |
+
#
|
| 382 |
+
_database_PDB_matrix.entry_id 1LU3
|
| 383 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 384 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 385 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 386 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 387 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 388 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 389 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 390 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 391 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 392 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 393 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 394 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 395 |
+
#
|
| 396 |
+
_struct.entry_id 1LU3
|
| 397 |
+
_struct.title
|
| 398 |
+
;Separate Fitting of the Anticodon Loop Region of tRNA (nucleotide 26-42) in the Low Resolution Cryo-EM Map of an EF-Tu Ternary Complex (GDP and Kirromycin) Bound to E. coli 70S Ribosome
|
| 399 |
+
;
|
| 400 |
+
_struct.pdbx_model_details ?
|
| 401 |
+
_struct.pdbx_CASP_flag ?
|
| 402 |
+
_struct.pdbx_model_type_details ?
|
| 403 |
+
#
|
| 404 |
+
_struct_keywords.entry_id 1LU3
|
| 405 |
+
_struct_keywords.pdbx_keywords RNA
|
| 406 |
+
_struct_keywords.text 'tRNA, ternary complex, cryo-EM, 70S E.coli ribosome, conformational change, RNA'
|
| 407 |
+
#
|
| 408 |
+
_struct_asym.id A
|
| 409 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag N
|
| 410 |
+
_struct_asym.pdbx_modified N
|
| 411 |
+
_struct_asym.entity_id 1
|
| 412 |
+
_struct_asym.details ?
|
| 413 |
+
#
|
| 414 |
+
_struct_ref.id 1
|
| 415 |
+
_struct_ref.entity_id 1
|
| 416 |
+
_struct_ref.db_name PDB
|
| 417 |
+
_struct_ref.db_code 1LU3
|
| 418 |
+
_struct_ref.pdbx_db_accession 1LU3
|
| 419 |
+
_struct_ref.pdbx_db_isoform ?
|
| 420 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 421 |
+
_struct_ref.pdbx_align_begin ?
|
| 422 |
+
#
|
| 423 |
+
_struct_ref_seq.align_id 1
|
| 424 |
+
_struct_ref_seq.ref_id 1
|
| 425 |
+
_struct_ref_seq.pdbx_PDB_id_code 1LU3
|
| 426 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 427 |
+
_struct_ref_seq.seq_align_beg 1
|
| 428 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 429 |
+
_struct_ref_seq.seq_align_end 17
|
| 430 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 431 |
+
_struct_ref_seq.pdbx_db_accession 1LU3
|
| 432 |
+
_struct_ref_seq.db_align_beg 26
|
| 433 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 434 |
+
_struct_ref_seq.db_align_end 42
|
| 435 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 436 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 26
|
| 437 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 42
|
| 438 |
+
#
|
| 439 |
+
_pdbx_struct_assembly.id 1
|
| 440 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 441 |
+
_pdbx_struct_assembly.method_details ?
|
| 442 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 443 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 444 |
+
#
|
| 445 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 446 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 447 |
+
_pdbx_struct_assembly_gen.asym_id_list A
|
| 448 |
+
#
|
| 449 |
+
_pdbx_struct_oper_list.id 1
|
| 450 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 451 |
+
_pdbx_struct_oper_list.name 1_555
|
| 452 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 453 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 454 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 455 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 456 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 457 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 458 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 459 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 460 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 461 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 462 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 463 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 464 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 465 |
+
#
|
| 466 |
+
_struct_biol.id 1
|
| 467 |
+
_struct_biol.pdbx_parent_biol_id ?
|
| 468 |
+
_struct_biol.details ?
|
| 469 |
+
#
|
| 470 |
+
loop_
|
| 471 |
+
_struct_conn.id
|
| 472 |
+
_struct_conn.conn_type_id
|
| 473 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 474 |
+
_struct_conn.pdbx_PDB_id
|
| 475 |
+
_struct_conn.ptnr1_label_asym_id
|
| 476 |
+
_struct_conn.ptnr1_label_comp_id
|
| 477 |
+
_struct_conn.ptnr1_label_seq_id
|
| 478 |
+
_struct_conn.ptnr1_label_atom_id
|
| 479 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 480 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 481 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 482 |
+
_struct_conn.ptnr1_symmetry
|
| 483 |
+
_struct_conn.ptnr2_label_asym_id
|
| 484 |
+
_struct_conn.ptnr2_label_comp_id
|
| 485 |
+
_struct_conn.ptnr2_label_seq_id
|
| 486 |
+
_struct_conn.ptnr2_label_atom_id
|
| 487 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 488 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 489 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 490 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 491 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 492 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 493 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 494 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 495 |
+
_struct_conn.ptnr2_symmetry
|
| 496 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 497 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 498 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 499 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 500 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 501 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 502 |
+
_struct_conn.details
|
| 503 |
+
_struct_conn.pdbx_dist_value
|
| 504 |
+
_struct_conn.pdbx_value_order
|
| 505 |
+
_struct_conn.pdbx_role
|
| 506 |
+
covale1 covale both ? A A 13 "O3'" ? ? ? 1_555 A PSU 14 P ? ? A A 38 A PSU 39 1_555 ? ? ? ? ? ? ?
|
| 507 |
+
1.599 ? ?
|
| 508 |
+
covale2 covale both ? A PSU 14 "O3'" ? ? ? 1_555 A C 15 P ? ? A PSU 39 A C 40 1_555 ? ? ? ? ? ? ?
|
| 509 |
+
1.600 ? ?
|
| 510 |
+
hydrog1 hydrog ? ? A C 3 N3 ? ? ? 1_555 A G 17 N1 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
|
| 511 |
+
?
|
| 512 |
+
hydrog2 hydrog ? ? A C 3 N4 ? ? ? 1_555 A G 17 O6 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
|
| 513 |
+
?
|
| 514 |
+
hydrog3 hydrog ? ? A C 3 O2 ? ? ? 1_555 A G 17 N2 ? ? A C 28 A G 42 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
|
| 515 |
+
?
|
| 516 |
+
hydrog4 hydrog ? ? A A 4 N1 ? ? ? 1_555 A U 16 N3 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
|
| 517 |
+
?
|
| 518 |
+
hydrog5 hydrog ? ? A A 4 N6 ? ? ? 1_555 A U 16 O4 ? ? A A 29 A U 41 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
|
| 519 |
+
?
|
| 520 |
+
hydrog6 hydrog ? ? A G 5 N1 ? ? ? 1_555 A C 15 N3 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
|
| 521 |
+
?
|
| 522 |
+
hydrog7 hydrog ? ? A G 5 N2 ? ? ? 1_555 A C 15 O2 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
|
| 523 |
+
?
|
| 524 |
+
hydrog8 hydrog ? ? A G 5 O6 ? ? ? 1_555 A C 15 N4 ? ? A G 30 A C 40 1_555 ? ? ? ? ? ? WATSON-CRICK ? ?
|
| 525 |
+
?
|
| 526 |
+
hydrog9 hydrog ? ? A A 6 N1 ? ? ? 1_555 A PSU 14 N3 ? ? A A 31 A PSU 39 1_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ?
|
| 527 |
+
?
|
| 528 |
+
hydrog10 hydrog ? ? A A 6 N6 ? ? ? 1_555 A PSU 14 O2 ? ? A A 31 A PSU 39 1_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ?
|
| 529 |
+
?
|
| 530 |
+
#
|
| 531 |
+
loop_
|
| 532 |
+
_struct_conn_type.id
|
| 533 |
+
_struct_conn_type.criteria
|
| 534 |
+
_struct_conn_type.reference
|
| 535 |
+
covale ? ?
|
| 536 |
+
hydrog ? ?
|
| 537 |
+
#
|
| 538 |
+
loop_
|
| 539 |
+
_pdbx_validate_rmsd_bond.id
|
| 540 |
+
_pdbx_validate_rmsd_bond.PDB_model_num
|
| 541 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_1
|
| 542 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_1
|
| 543 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_1
|
| 544 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_1
|
| 545 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_1
|
| 546 |
+
_pdbx_validate_rmsd_bond.label_alt_id_1
|
| 547 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_2
|
| 548 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_2
|
| 549 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_2
|
| 550 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_2
|
| 551 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_2
|
| 552 |
+
_pdbx_validate_rmsd_bond.label_alt_id_2
|
| 553 |
+
_pdbx_validate_rmsd_bond.bond_value
|
| 554 |
+
_pdbx_validate_rmsd_bond.bond_target_value
|
| 555 |
+
_pdbx_validate_rmsd_bond.bond_deviation
|
| 556 |
+
_pdbx_validate_rmsd_bond.bond_standard_deviation
|
| 557 |
+
_pdbx_validate_rmsd_bond.linker_flag
|
| 558 |
+
1 1 N3 A G 26 ? ? C4 A G 26 ? ? 1.440 1.350 0.090 0.007 N
|
| 559 |
+
2 1 C4 A G 26 ? ? C5 A G 26 ? ? 1.332 1.379 -0.047 0.007 N
|
| 560 |
+
3 1 C5 A G 26 ? ? N7 A G 26 ? ? 1.437 1.388 0.049 0.006 N
|
| 561 |
+
4 1 N7 A G 26 ? ? C8 A G 26 ? ? 1.262 1.305 -0.043 0.006 N
|
| 562 |
+
5 1 C8 A G 26 ? ? N9 A G 26 ? ? 1.303 1.374 -0.071 0.007 N
|
| 563 |
+
6 1 N9 A G 26 ? ? C4 A G 26 ? ? 1.309 1.375 -0.066 0.008 N
|
| 564 |
+
7 1 C2 A C 27 ? ? N3 A C 27 ? ? 1.445 1.353 0.092 0.008 N
|
| 565 |
+
8 1 N3 A C 27 ? ? C4 A C 27 ? ? 1.271 1.335 -0.064 0.007 N
|
| 566 |
+
9 1 C4 A C 27 ? ? C5 A C 27 ? ? 1.475 1.425 0.050 0.008 N
|
| 567 |
+
10 1 C2 A C 28 ? ? N3 A C 28 ? ? 1.443 1.353 0.090 0.008 N
|
| 568 |
+
11 1 N3 A C 28 ? ? C4 A C 28 ? ? 1.270 1.335 -0.065 0.007 N
|
| 569 |
+
12 1 C4 A C 28 ? ? C5 A C 28 ? ? 1.475 1.425 0.050 0.008 N
|
| 570 |
+
13 1 C5 A A 29 ? ? N7 A A 29 ? ? 1.340 1.388 -0.048 0.006 N
|
| 571 |
+
14 1 N7 A A 29 ? ? C8 A A 29 ? ? 1.267 1.311 -0.044 0.007 N
|
| 572 |
+
15 1 C8 A A 29 ? ? N9 A A 29 ? ? 1.306 1.373 -0.067 0.008 N
|
| 573 |
+
16 1 N3 A G 30 ? ? C4 A G 30 ? ? 1.440 1.350 0.090 0.007 N
|
| 574 |
+
17 1 C4 A G 30 ? ? C5 A G 30 ? ? 1.332 1.379 -0.047 0.007 N
|
| 575 |
+
18 1 C5 A G 30 ? ? N7 A G 30 ? ? 1.436 1.388 0.048 0.006 N
|
| 576 |
+
19 1 N7 A G 30 ? ? C8 A G 30 ? ? 1.262 1.305 -0.043 0.006 N
|
| 577 |
+
20 1 C8 A G 30 ? ? N9 A G 30 ? ? 1.303 1.374 -0.071 0.007 N
|
| 578 |
+
21 1 N9 A G 30 ? ? C4 A G 30 ? ? 1.309 1.375 -0.066 0.008 N
|
| 579 |
+
22 1 C5 A A 31 ? ? N7 A A 31 ? ? 1.340 1.388 -0.048 0.006 N
|
| 580 |
+
23 1 N7 A A 31 ? ? C8 A A 31 ? ? 1.268 1.311 -0.043 0.007 N
|
| 581 |
+
24 1 C8 A A 31 ? ? N9 A A 31 ? ? 1.308 1.373 -0.065 0.008 N
|
| 582 |
+
25 1 C2 A C 32 ? ? N3 A C 32 ? ? 1.445 1.353 0.092 0.008 N
|
| 583 |
+
26 1 N3 A C 32 ? ? C4 A C 32 ? ? 1.270 1.335 -0.065 0.007 N
|
| 584 |
+
27 1 C4 A C 32 ? ? C5 A C 32 ? ? 1.475 1.425 0.050 0.008 N
|
| 585 |
+
28 1 N3 A G 34 ? ? C4 A G 34 ? ? 1.441 1.350 0.091 0.007 N
|
| 586 |
+
29 1 C4 A G 34 ? ? C5 A G 34 ? ? 1.331 1.379 -0.048 0.007 N
|
| 587 |
+
30 1 C5 A G 34 ? ? N7 A G 34 ? ? 1.435 1.388 0.047 0.006 N
|
| 588 |
+
31 1 N7 A G 34 ? ? C8 A G 34 ? ? 1.262 1.305 -0.043 0.006 N
|
| 589 |
+
32 1 C8 A G 34 ? ? N9 A G 34 ? ? 1.302 1.374 -0.072 0.007 N
|
| 590 |
+
33 1 N9 A G 34 ? ? C4 A G 34 ? ? 1.310 1.375 -0.065 0.008 N
|
| 591 |
+
34 1 C5 A A 35 ? ? N7 A A 35 ? ? 1.338 1.388 -0.050 0.006 N
|
| 592 |
+
35 1 N7 A A 35 ? ? C8 A A 35 ? ? 1.267 1.311 -0.044 0.007 N
|
| 593 |
+
36 1 C8 A A 35 ? ? N9 A A 35 ? ? 1.307 1.373 -0.066 0.008 N
|
| 594 |
+
37 1 C5 A A 36 ? ? N7 A A 36 ? ? 1.338 1.388 -0.050 0.006 N
|
| 595 |
+
38 1 N7 A A 36 ? ? C8 A A 36 ? ? 1.268 1.311 -0.043 0.007 N
|
| 596 |
+
39 1 C8 A A 36 ? ? N9 A A 36 ? ? 1.308 1.373 -0.065 0.008 N
|
| 597 |
+
40 1 C2 A G 37 ? ? N3 A G 37 ? ? 1.273 1.323 -0.050 0.008 N
|
| 598 |
+
41 1 N3 A G 37 ? ? C4 A G 37 ? ? 1.439 1.350 0.089 0.007 N
|
| 599 |
+
42 1 C4 A G 37 ? ? C5 A G 37 ? ? 1.332 1.379 -0.047 0.007 N
|
| 600 |
+
43 1 C5 A G 37 ? ? N7 A G 37 ? ? 1.436 1.388 0.048 0.006 N
|
| 601 |
+
44 1 N7 A G 37 ? ? C8 A G 37 ? ? 1.261 1.305 -0.044 0.006 N
|
| 602 |
+
45 1 C8 A G 37 ? ? N9 A G 37 ? ? 1.302 1.374 -0.072 0.007 N
|
| 603 |
+
46 1 N9 A G 37 ? ? C4 A G 37 ? ? 1.310 1.375 -0.065 0.008 N
|
| 604 |
+
47 1 C5 A A 38 ? ? N7 A A 38 ? ? 1.340 1.388 -0.048 0.006 N
|
| 605 |
+
48 1 N7 A A 38 ? ? C8 A A 38 ? ? 1.269 1.311 -0.042 0.007 N
|
| 606 |
+
49 1 C8 A A 38 ? ? N9 A A 38 ? ? 1.308 1.373 -0.065 0.008 N
|
| 607 |
+
50 1 C2 A C 40 ? ? N3 A C 40 ? ? 1.445 1.353 0.092 0.008 N
|
| 608 |
+
51 1 N3 A C 40 ? ? C4 A C 40 ? ? 1.271 1.335 -0.064 0.007 N
|
| 609 |
+
52 1 C4 A C 40 ? ? C5 A C 40 ? ? 1.474 1.425 0.049 0.008 N
|
| 610 |
+
53 1 N3 A G 42 ? ? C4 A G 42 ? ? 1.442 1.350 0.092 0.007 N
|
| 611 |
+
54 1 C4 A G 42 ? ? C5 A G 42 ? ? 1.332 1.379 -0.047 0.007 N
|
| 612 |
+
55 1 C5 A G 42 ? ? N7 A G 42 ? ? 1.437 1.388 0.049 0.006 N
|
| 613 |
+
56 1 N7 A G 42 ? ? C8 A G 42 ? ? 1.261 1.305 -0.044 0.006 N
|
| 614 |
+
57 1 C8 A G 42 ? ? N9 A G 42 ? ? 1.302 1.374 -0.072 0.007 N
|
| 615 |
+
58 1 N9 A G 42 ? ? C4 A G 42 ? ? 1.309 1.375 -0.066 0.008 N
|
| 616 |
+
#
|
| 617 |
+
loop_
|
| 618 |
+
_pdbx_validate_rmsd_angle.id
|
| 619 |
+
_pdbx_validate_rmsd_angle.PDB_model_num
|
| 620 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1
|
| 621 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1
|
| 622 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1
|
| 623 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1
|
| 624 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
| 625 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1
|
| 626 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2
|
| 627 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2
|
| 628 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2
|
| 629 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2
|
| 630 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
| 631 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2
|
| 632 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3
|
| 633 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3
|
| 634 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3
|
| 635 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3
|
| 636 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
| 637 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3
|
| 638 |
+
_pdbx_validate_rmsd_angle.angle_value
|
| 639 |
+
_pdbx_validate_rmsd_angle.angle_target_value
|
| 640 |
+
_pdbx_validate_rmsd_angle.angle_deviation
|
| 641 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation
|
| 642 |
+
_pdbx_validate_rmsd_angle.linker_flag
|
| 643 |
+
1 1 OP1 A G 26 ? ? P A G 26 ? ? OP2 A G 26 ? ? 109.39 119.60 -10.21 1.50 N
|
| 644 |
+
2 1 C2 A G 26 ? ? N3 A G 26 ? ? C4 A G 26 ? ? 120.25 111.90 8.35 0.50 N
|
| 645 |
+
3 1 N3 A G 26 ? ? C4 A G 26 ? ? C5 A G 26 ? ? 119.09 128.60 -9.51 0.50 N
|
| 646 |
+
4 1 C5 A G 26 ? ? C6 A G 26 ? ? N1 A G 26 ? ? 115.09 111.50 3.59 0.50 N
|
| 647 |
+
5 1 C4 A G 26 ? ? C5 A G 26 ? ? N7 A G 26 ? ? 101.17 110.80 -9.63 0.40 N
|
| 648 |
+
6 1 C5 A G 26 ? ? N7 A G 26 ? ? C8 A G 26 ? ? 109.49 104.30 5.19 0.50 N
|
| 649 |
+
7 1 N7 A G 26 ? ? C8 A G 26 ? ? N9 A G 26 ? ? 109.56 113.10 -3.54 0.50 N
|
| 650 |
+
8 1 N9 A G 26 ? ? C4 A G 26 ? ? C5 A G 26 ? ? 111.32 105.40 5.92 0.40 N
|
| 651 |
+
9 1 C6 A G 26 ? ? C5 A G 26 ? ? N7 A G 26 ? ? 138.28 130.40 7.88 0.60 N
|
| 652 |
+
10 1 N1 A G 26 ? ? C6 A G 26 ? ? O6 A G 26 ? ? 124.23 119.90 4.33 0.60 N
|
| 653 |
+
11 1 C5 A G 26 ? ? C6 A G 26 ? ? O6 A G 26 ? ? 120.68 128.60 -7.92 0.60 N
|
| 654 |
+
12 1 OP1 A C 27 ? ? P A C 27 ? ? OP2 A C 27 ? ? 109.22 119.60 -10.38 1.50 N
|
| 655 |
+
13 1 N3 A C 27 ? ? C4 A C 27 ? ? C5 A C 27 ? ? 117.70 121.90 -4.20 0.40 N
|
| 656 |
+
14 1 C4 A C 27 ? ? C5 A C 27 ? ? C6 A C 27 ? ? 120.46 117.40 3.06 0.50 N
|
| 657 |
+
15 1 N3 A C 27 ? ? C2 A C 27 ? ? O2 A C 27 ? ? 117.69 121.90 -4.21 0.70 N
|
| 658 |
+
16 1 N3 A C 27 ? ? C4 A C 27 ? ? N4 A C 27 ? ? 123.02 118.00 5.02 0.70 N
|
| 659 |
+
17 1 OP1 A C 28 ? ? P A C 28 ? ? OP2 A C 28 ? ? 109.48 119.60 -10.12 1.50 N
|
| 660 |
+
18 1 N3 A C 28 ? ? C4 A C 28 ? ? C5 A C 28 ? ? 117.64 121.90 -4.26 0.40 N
|
| 661 |
+
19 1 C4 A C 28 ? ? C5 A C 28 ? ? C6 A C 28 ? ? 120.44 117.40 3.04 0.50 N
|
| 662 |
+
20 1 N3 A C 28 ? ? C4 A C 28 ? ? N4 A C 28 ? ? 122.98 118.00 4.98 0.70 N
|
| 663 |
+
21 1 OP1 A A 29 ? ? P A A 29 ? ? OP2 A A 29 ? ? 109.35 119.60 -10.25 1.50 N
|
| 664 |
+
22 1 N1 A A 29 ? ? C2 A A 29 ? ? N3 A A 29 ? ? 122.63 129.30 -6.67 0.50 N
|
| 665 |
+
23 1 C2 A A 29 ? ? N3 A A 29 ? ? C4 A A 29 ? ? 117.85 110.60 7.25 0.50 N
|
| 666 |
+
24 1 N3 A A 29 ? ? C4 A A 29 ? ? C5 A A 29 ? ? 119.86 126.80 -6.94 0.70 N
|
| 667 |
+
25 1 C4 A A 29 ? ? C5 A A 29 ? ? C6 A A 29 ? ? 122.35 117.00 5.35 0.50 N
|
| 668 |
+
26 1 C4 A A 29 ? ? C5 A A 29 ? ? N7 A A 29 ? ? 105.51 110.70 -5.19 0.50 N
|
| 669 |
+
27 1 C5 A A 29 ? ? N7 A A 29 ? ? C8 A A 29 ? ? 109.88 103.90 5.98 0.50 N
|
| 670 |
+
28 1 N3 A A 29 ? ? C4 A A 29 ? ? N9 A A 29 ? ? 134.01 127.40 6.61 0.80 N
|
| 671 |
+
29 1 N1 A A 29 ? ? C6 A A 29 ? ? N6 A A 29 ? ? 122.99 118.60 4.39 0.60 N
|
| 672 |
+
30 1 OP1 A G 30 ? ? P A G 30 ? ? OP2 A G 30 ? ? 109.47 119.60 -10.13 1.50 N
|
| 673 |
+
31 1 C2 A G 30 ? ? N3 A G 30 ? ? C4 A G 30 ? ? 120.33 111.90 8.43 0.50 N
|
| 674 |
+
32 1 N3 A G 30 ? ? C4 A G 30 ? ? C5 A G 30 ? ? 118.92 128.60 -9.68 0.50 N
|
| 675 |
+
33 1 C5 A G 30 ? ? C6 A G 30 ? ? N1 A G 30 ? ? 115.22 111.50 3.72 0.50 N
|
| 676 |
+
34 1 C4 A G 30 ? ? C5 A G 30 ? ? N7 A G 30 ? ? 101.27 110.80 -9.53 0.40 N
|
| 677 |
+
35 1 C5 A G 30 ? ? N7 A G 30 ? ? C8 A G 30 ? ? 109.42 104.30 5.12 0.50 N
|
| 678 |
+
36 1 N7 A G 30 ? ? C8 A G 30 ? ? N9 A G 30 ? ? 109.60 113.10 -3.50 0.50 N
|
| 679 |
+
37 1 N9 A G 30 ? ? C4 A G 30 ? ? C5 A G 30 ? ? 111.26 105.40 5.86 0.40 N
|
| 680 |
+
38 1 N3 A G 30 ? ? C4 A G 30 ? ? N9 A G 30 ? ? 129.83 126.00 3.83 0.60 N
|
| 681 |
+
39 1 C6 A G 30 ? ? C5 A G 30 ? ? N7 A G 30 ? ? 138.10 130.40 7.70 0.60 N
|
| 682 |
+
40 1 N1 A G 30 ? ? C6 A G 30 ? ? O6 A G 30 ? ? 124.32 119.90 4.42 0.60 N
|
| 683 |
+
41 1 C5 A G 30 ? ? C6 A G 30 ? ? O6 A G 30 ? ? 120.46 128.60 -8.14 0.60 N
|
| 684 |
+
42 1 OP1 A A 31 ? ? P A A 31 ? ? OP2 A A 31 ? ? 109.50 119.60 -10.10 1.50 N
|
| 685 |
+
43 1 N1 A A 31 ? ? C2 A A 31 ? ? N3 A A 31 ? ? 122.66 129.30 -6.64 0.50 N
|
| 686 |
+
44 1 C2 A A 31 ? ? N3 A A 31 ? ? C4 A A 31 ? ? 117.83 110.60 7.23 0.50 N
|
| 687 |
+
45 1 N3 A A 31 ? ? C4 A A 31 ? ? C5 A A 31 ? ? 119.88 126.80 -6.92 0.70 N
|
| 688 |
+
46 1 C4 A A 31 ? ? C5 A A 31 ? ? C6 A A 31 ? ? 122.27 117.00 5.27 0.50 N
|
| 689 |
+
47 1 C4 A A 31 ? ? C5 A A 31 ? ? N7 A A 31 ? ? 105.51 110.70 -5.19 0.50 N
|
| 690 |
+
48 1 C5 A A 31 ? ? N7 A A 31 ? ? C8 A A 31 ? ? 109.94 103.90 6.04 0.50 N
|
| 691 |
+
49 1 N3 A A 31 ? ? C4 A A 31 ? ? N9 A A 31 ? ? 133.95 127.40 6.55 0.80 N
|
| 692 |
+
50 1 N1 A A 31 ? ? C6 A A 31 ? ? N6 A A 31 ? ? 122.84 118.60 4.24 0.60 N
|
| 693 |
+
51 1 OP1 A C 32 ? ? P A C 32 ? ? OP2 A C 32 ? ? 109.55 119.60 -10.05 1.50 N
|
| 694 |
+
52 1 N3 A C 32 ? ? C4 A C 32 ? ? C5 A C 32 ? ? 117.48 121.90 -4.42 0.40 N
|
| 695 |
+
53 1 C4 A C 32 ? ? C5 A C 32 ? ? C6 A C 32 ? ? 120.66 117.40 3.26 0.50 N
|
| 696 |
+
54 1 N1 A C 32 ? ? C2 A C 32 ? ? O2 A C 32 ? ? 122.51 118.90 3.61 0.60 N
|
| 697 |
+
55 1 N3 A C 32 ? ? C4 A C 32 ? ? N4 A C 32 ? ? 122.90 118.00 4.90 0.70 N
|
| 698 |
+
56 1 OP1 A U 33 ? ? P A U 33 ? ? OP2 A U 33 ? ? 109.40 119.60 -10.20 1.50 N
|
| 699 |
+
57 1 N1 A U 33 ? ? C2 A U 33 ? ? N3 A U 33 ? ? 118.70 114.90 3.80 0.60 N
|
| 700 |
+
58 1 C2 A U 33 ? ? N3 A U 33 ? ? C4 A U 33 ? ? 122.13 127.00 -4.87 0.60 N
|
| 701 |
+
59 1 C5 A U 33 ? ? C4 A U 33 ? ? O4 A U 33 ? ? 119.45 125.90 -6.45 0.60 N
|
| 702 |
+
60 1 OP1 A G 34 ? ? P A G 34 ? ? OP2 A G 34 ? ? 109.46 119.60 -10.14 1.50 N
|
| 703 |
+
61 1 C2 A G 34 ? ? N3 A G 34 ? ? C4 A G 34 ? ? 120.31 111.90 8.41 0.50 N
|
| 704 |
+
62 1 N3 A G 34 ? ? C4 A G 34 ? ? C5 A G 34 ? ? 118.95 128.60 -9.65 0.50 N
|
| 705 |
+
63 1 C5 A G 34 ? ? C6 A G 34 ? ? N1 A G 34 ? ? 115.37 111.50 3.87 0.50 N
|
| 706 |
+
64 1 C4 A G 34 ? ? C5 A G 34 ? ? N7 A G 34 ? ? 101.19 110.80 -9.61 0.40 N
|
| 707 |
+
65 1 C5 A G 34 ? ? N7 A G 34 ? ? C8 A G 34 ? ? 109.47 104.30 5.17 0.50 N
|
| 708 |
+
66 1 N7 A G 34 ? ? C8 A G 34 ? ? N9 A G 34 ? ? 109.63 113.10 -3.47 0.50 N
|
| 709 |
+
67 1 N9 A G 34 ? ? C4 A G 34 ? ? C5 A G 34 ? ? 111.36 105.40 5.96 0.40 N
|
| 710 |
+
68 1 N3 A G 34 ? ? C4 A G 34 ? ? N9 A G 34 ? ? 129.69 126.00 3.69 0.60 N
|
| 711 |
+
69 1 C6 A G 34 ? ? C5 A G 34 ? ? N7 A G 34 ? ? 138.17 130.40 7.77 0.60 N
|
| 712 |
+
70 1 N1 A G 34 ? ? C6 A G 34 ? ? O6 A G 34 ? ? 124.32 119.90 4.42 0.60 N
|
| 713 |
+
71 1 C5 A G 34 ? ? C6 A G 34 ? ? O6 A G 34 ? ? 120.30 128.60 -8.30 0.60 N
|
| 714 |
+
72 1 OP1 A A 35 ? ? P A A 35 ? ? OP2 A A 35 ? ? 109.40 119.60 -10.20 1.50 N
|
| 715 |
+
73 1 N1 A A 35 ? ? C2 A A 35 ? ? N3 A A 35 ? ? 122.64 129.30 -6.66 0.50 N
|
| 716 |
+
74 1 C2 A A 35 ? ? N3 A A 35 ? ? C4 A A 35 ? ? 118.02 110.60 7.42 0.50 N
|
| 717 |
+
75 1 N3 A A 35 ? ? C4 A A 35 ? ? C5 A A 35 ? ? 119.58 126.80 -7.22 0.70 N
|
| 718 |
+
76 1 C4 A A 35 ? ? C5 A A 35 ? ? C6 A A 35 ? ? 122.50 117.00 5.50 0.50 N
|
| 719 |
+
77 1 C4 A A 35 ? ? C5 A A 35 ? ? N7 A A 35 ? ? 105.41 110.70 -5.29 0.50 N
|
| 720 |
+
78 1 C5 A A 35 ? ? N7 A A 35 ? ? C8 A A 35 ? ? 110.05 103.90 6.15 0.50 N
|
| 721 |
+
79 1 N3 A A 35 ? ? C4 A A 35 ? ? N9 A A 35 ? ? 134.15 127.40 6.75 0.80 N
|
| 722 |
+
80 1 N1 A A 35 ? ? C6 A A 35 ? ? N6 A A 35 ? ? 122.86 118.60 4.26 0.60 N
|
| 723 |
+
81 1 OP1 A A 36 ? ? P A A 36 ? ? OP2 A A 36 ? ? 109.17 119.60 -10.43 1.50 N
|
| 724 |
+
82 1 N1 A A 36 ? ? C2 A A 36 ? ? N3 A A 36 ? ? 122.57 129.30 -6.73 0.50 N
|
| 725 |
+
83 1 C2 A A 36 ? ? N3 A A 36 ? ? C4 A A 36 ? ? 117.81 110.60 7.21 0.50 N
|
| 726 |
+
84 1 N3 A A 36 ? ? C4 A A 36 ? ? C5 A A 36 ? ? 120.01 126.80 -6.79 0.70 N
|
| 727 |
+
85 1 C4 A A 36 ? ? C5 A A 36 ? ? C6 A A 36 ? ? 122.21 117.00 5.21 0.50 N
|
| 728 |
+
86 1 C4 A A 36 ? ? C5 A A 36 ? ? N7 A A 36 ? ? 105.45 110.70 -5.25 0.50 N
|
| 729 |
+
87 1 C5 A A 36 ? ? N7 A A 36 ? ? C8 A A 36 ? ? 110.00 103.90 6.10 0.50 N
|
| 730 |
+
88 1 N3 A A 36 ? ? C4 A A 36 ? ? N9 A A 36 ? ? 133.75 127.40 6.35 0.80 N
|
| 731 |
+
89 1 N1 A A 36 ? ? C6 A A 36 ? ? N6 A A 36 ? ? 122.71 118.60 4.11 0.60 N
|
| 732 |
+
90 1 OP1 A G 37 ? ? P A G 37 ? ? OP2 A G 37 ? ? 109.24 119.60 -10.36 1.50 N
|
| 733 |
+
91 1 C2 A G 37 ? ? N3 A G 37 ? ? C4 A G 37 ? ? 120.30 111.90 8.40 0.50 N
|
| 734 |
+
92 1 N3 A G 37 ? ? C4 A G 37 ? ? C5 A G 37 ? ? 119.29 128.60 -9.31 0.50 N
|
| 735 |
+
93 1 C5 A G 37 ? ? C6 A G 37 ? ? N1 A G 37 ? ? 115.23 111.50 3.73 0.50 N
|
| 736 |
+
94 1 C4 A G 37 ? ? C5 A G 37 ? ? N7 A G 37 ? ? 101.13 110.80 -9.67 0.40 N
|
| 737 |
+
95 1 C5 A G 37 ? ? N7 A G 37 ? ? C8 A G 37 ? ? 109.57 104.30 5.27 0.50 N
|
| 738 |
+
96 1 N7 A G 37 ? ? C8 A G 37 ? ? N9 A G 37 ? ? 109.52 113.10 -3.58 0.50 N
|
| 739 |
+
97 1 N9 A G 37 ? ? C4 A G 37 ? ? C5 A G 37 ? ? 111.33 105.40 5.93 0.40 N
|
| 740 |
+
98 1 C6 A G 37 ? ? C5 A G 37 ? ? N7 A G 37 ? ? 138.55 130.40 8.15 0.60 N
|
| 741 |
+
99 1 N1 A G 37 ? ? C6 A G 37 ? ? O6 A G 37 ? ? 123.83 119.90 3.93 0.60 N
|
| 742 |
+
100 1 C5 A G 37 ? ? C6 A G 37 ? ? O6 A G 37 ? ? 120.94 128.60 -7.66 0.60 N
|
| 743 |
+
101 1 OP1 A A 38 ? ? P A A 38 ? ? OP2 A A 38 ? ? 109.43 119.60 -10.17 1.50 N
|
| 744 |
+
102 1 N1 A A 38 ? ? C2 A A 38 ? ? N3 A A 38 ? ? 122.78 129.30 -6.52 0.50 N
|
| 745 |
+
103 1 C2 A A 38 ? ? N3 A A 38 ? ? C4 A A 38 ? ? 117.81 110.60 7.21 0.50 N
|
| 746 |
+
104 1 N3 A A 38 ? ? C4 A A 38 ? ? C5 A A 38 ? ? 119.87 126.80 -6.93 0.70 N
|
| 747 |
+
105 1 C4 A A 38 ? ? C5 A A 38 ? ? C6 A A 38 ? ? 122.33 117.00 5.33 0.50 N
|
| 748 |
+
106 1 C4 A A 38 ? ? C5 A A 38 ? ? N7 A A 38 ? ? 105.38 110.70 -5.32 0.50 N
|
| 749 |
+
107 1 C5 A A 38 ? ? N7 A A 38 ? ? C8 A A 38 ? ? 109.98 103.90 6.08 0.50 N
|
| 750 |
+
108 1 N3 A A 38 ? ? C4 A A 38 ? ? N9 A A 38 ? ? 133.82 127.40 6.42 0.80 N
|
| 751 |
+
109 1 N1 A A 38 ? ? C6 A A 38 ? ? N6 A A 38 ? ? 122.71 118.60 4.11 0.60 N
|
| 752 |
+
110 1 OP1 A C 40 ? ? P A C 40 ? ? OP2 A C 40 ? ? 109.28 119.60 -10.32 1.50 N
|
| 753 |
+
111 1 N3 A C 40 ? ? C4 A C 40 ? ? C5 A C 40 ? ? 117.75 121.90 -4.15 0.40 N
|
| 754 |
+
112 1 N1 A C 40 ? ? C2 A C 40 ? ? O2 A C 40 ? ? 122.53 118.90 3.63 0.60 N
|
| 755 |
+
113 1 N3 A C 40 ? ? C2 A C 40 ? ? O2 A C 40 ? ? 117.67 121.90 -4.23 0.70 N
|
| 756 |
+
114 1 N3 A C 40 ? ? C4 A C 40 ? ? N4 A C 40 ? ? 123.04 118.00 5.04 0.70 N
|
| 757 |
+
115 1 OP1 A U 41 ? ? P A U 41 ? ? OP2 A U 41 ? ? 109.38 119.60 -10.22 1.50 N
|
| 758 |
+
116 1 N1 A U 41 ? ? C2 A U 41 ? ? N3 A U 41 ? ? 118.74 114.90 3.84 0.60 N
|
| 759 |
+
117 1 C2 A U 41 ? ? N3 A U 41 ? ? C4 A U 41 ? ? 121.95 127.00 -5.05 0.60 N
|
| 760 |
+
118 1 C5 A U 41 ? ? C4 A U 41 ? ? O4 A U 41 ? ? 119.16 125.90 -6.74 0.60 N
|
| 761 |
+
119 1 OP1 A G 42 ? ? P A G 42 ? ? OP2 A G 42 ? ? 109.39 119.60 -10.21 1.50 N
|
| 762 |
+
120 1 C2 A G 42 ? ? N3 A G 42 ? ? C4 A G 42 ? ? 120.10 111.90 8.20 0.50 N
|
| 763 |
+
121 1 N3 A G 42 ? ? C4 A G 42 ? ? C5 A G 42 ? ? 119.16 128.60 -9.44 0.50 N
|
| 764 |
+
122 1 C5 A G 42 ? ? C6 A G 42 ? ? N1 A G 42 ? ? 115.10 111.50 3.60 0.50 N
|
| 765 |
+
123 1 C4 A G 42 ? ? C5 A G 42 ? ? N7 A G 42 ? ? 101.13 110.80 -9.67 0.40 N
|
| 766 |
+
124 1 C5 A G 42 ? ? N7 A G 42 ? ? C8 A G 42 ? ? 109.50 104.30 5.20 0.50 N
|
| 767 |
+
125 1 N7 A G 42 ? ? C8 A G 42 ? ? N9 A G 42 ? ? 109.56 113.10 -3.54 0.50 N
|
| 768 |
+
126 1 N9 A G 42 ? ? C4 A G 42 ? ? C5 A G 42 ? ? 111.36 105.40 5.96 0.40 N
|
| 769 |
+
127 1 C6 A G 42 ? ? C5 A G 42 ? ? N7 A G 42 ? ? 138.31 130.40 7.91 0.60 N
|
| 770 |
+
128 1 N1 A G 42 ? ? C6 A G 42 ? ? O6 A G 42 ? ? 124.19 119.90 4.29 0.60 N
|
| 771 |
+
129 1 C5 A G 42 ? ? C6 A G 42 ? ? O6 A G 42 ? ? 120.71 128.60 -7.89 0.60 N
|
| 772 |
+
#
|
| 773 |
+
_pdbx_struct_mod_residue.id 1
|
| 774 |
+
_pdbx_struct_mod_residue.label_asym_id A
|
| 775 |
+
_pdbx_struct_mod_residue.label_comp_id PSU
|
| 776 |
+
_pdbx_struct_mod_residue.label_seq_id 14
|
| 777 |
+
_pdbx_struct_mod_residue.auth_asym_id A
|
| 778 |
+
_pdbx_struct_mod_residue.auth_comp_id PSU
|
| 779 |
+
_pdbx_struct_mod_residue.auth_seq_id 39
|
| 780 |
+
_pdbx_struct_mod_residue.PDB_ins_code ?
|
| 781 |
+
_pdbx_struct_mod_residue.parent_comp_id U
|
| 782 |
+
_pdbx_struct_mod_residue.details "PSEUDOURIDINE-5'-MONOPHOSPHATE"
|
| 783 |
+
#
|
| 784 |
+
_em_3d_fitting.id 1
|
| 785 |
+
_em_3d_fitting.entry_id 1LU3
|
| 786 |
+
_em_3d_fitting.ref_protocol OTHER
|
| 787 |
+
_em_3d_fitting.ref_space ?
|
| 788 |
+
_em_3d_fitting.overall_b_value ?
|
| 789 |
+
_em_3d_fitting.target_criteria ?
|
| 790 |
+
_em_3d_fitting.details METHOD--Manual
|
| 791 |
+
_em_3d_fitting.method ?
|
| 792 |
+
#
|
| 793 |
+
_em_3d_fitting_list.id 1
|
| 794 |
+
_em_3d_fitting_list.pdb_entry_id 1TTT
|
| 795 |
+
_em_3d_fitting_list.3d_fitting_id 1
|
| 796 |
+
_em_3d_fitting_list.pdb_chain_id ?
|
| 797 |
+
_em_3d_fitting_list.initial_refinement_model_id 1
|
| 798 |
+
_em_3d_fitting_list.chain_id ?
|
| 799 |
+
_em_3d_fitting_list.chain_residue_range ?
|
| 800 |
+
_em_3d_fitting_list.pdb_chain_residue_range ?
|
| 801 |
+
_em_3d_fitting_list.source_name PDB
|
| 802 |
+
_em_3d_fitting_list.type 'experimental model'
|
| 803 |
+
_em_3d_fitting_list.accession_code 1TTT
|
| 804 |
+
_em_3d_fitting_list.details ?
|
| 805 |
+
#
|
| 806 |
+
_em_3d_reconstruction.entry_id 1LU3
|
| 807 |
+
_em_3d_reconstruction.id 1
|
| 808 |
+
_em_3d_reconstruction.symmetry_type POINT
|
| 809 |
+
_em_3d_reconstruction.num_particles 7985
|
| 810 |
+
_em_3d_reconstruction.image_processing_id 1
|
| 811 |
+
_em_3d_reconstruction.method 'reference based alignment'
|
| 812 |
+
_em_3d_reconstruction.nominal_pixel_size ?
|
| 813 |
+
_em_3d_reconstruction.actual_pixel_size 2.69
|
| 814 |
+
_em_3d_reconstruction.resolution 16.8
|
| 815 |
+
_em_3d_reconstruction.magnification_calibration TMV
|
| 816 |
+
_em_3d_reconstruction.details 'SPIDER package'
|
| 817 |
+
_em_3d_reconstruction.resolution_method ?
|
| 818 |
+
_em_3d_reconstruction.num_class_averages ?
|
| 819 |
+
_em_3d_reconstruction.algorithm ?
|
| 820 |
+
#
|
| 821 |
+
_em_buffer.id 1
|
| 822 |
+
_em_buffer.specimen_id 1
|
| 823 |
+
_em_buffer.name 'Hepes-KOH buffer at pH 7.5'
|
| 824 |
+
_em_buffer.pH 7.5
|
| 825 |
+
_em_buffer.details 'Hepes-KOH buffer at pH 7.5'
|
| 826 |
+
#
|
| 827 |
+
_em_entity_assembly.id 1
|
| 828 |
+
_em_entity_assembly.name 'E.coli 70S ribosome-Ternary complex-GDP-Kirromycin'
|
| 829 |
+
_em_entity_assembly.type RIBOSOME
|
| 830 |
+
_em_entity_assembly.parent_id 0
|
| 831 |
+
_em_entity_assembly.synonym ?
|
| 832 |
+
_em_entity_assembly.details 'E.coli 70S ribosome-Ternary complex-GDP-Kirromycin'
|
| 833 |
+
_em_entity_assembly.oligomeric_details ?
|
| 834 |
+
#
|
| 835 |
+
_em_imaging.entry_id 1LU3
|
| 836 |
+
_em_imaging.id 1
|
| 837 |
+
_em_imaging.microscope_model 'FEI/PHILIPS EM420'
|
| 838 |
+
_em_imaging.specimen_id 1
|
| 839 |
+
_em_imaging.date 2001-03-01
|
| 840 |
+
_em_imaging.temperature 93
|
| 841 |
+
_em_imaging.nominal_defocus_min 1000
|
| 842 |
+
_em_imaging.nominal_defocus_max 3500
|
| 843 |
+
_em_imaging.tilt_angle_min 0
|
| 844 |
+
_em_imaging.tilt_angle_max 0
|
| 845 |
+
_em_imaging.nominal_cs 2
|
| 846 |
+
_em_imaging.mode 'BRIGHT FIELD'
|
| 847 |
+
_em_imaging.illumination_mode 'FLOOD BEAM'
|
| 848 |
+
_em_imaging.nominal_magnification 50000
|
| 849 |
+
_em_imaging.calibrated_magnification 52000
|
| 850 |
+
_em_imaging.electron_source LAB6
|
| 851 |
+
_em_imaging.accelerating_voltage 100
|
| 852 |
+
_em_imaging.details ?
|
| 853 |
+
_em_imaging.specimen_holder_type ?
|
| 854 |
+
_em_imaging.specimen_holder_model ?
|
| 855 |
+
_em_imaging.citation_id ?
|
| 856 |
+
_em_imaging.detector_distance ?
|
| 857 |
+
_em_imaging.recording_temperature_maximum ?
|
| 858 |
+
_em_imaging.recording_temperature_minimum ?
|
| 859 |
+
_em_imaging.astigmatism ?
|
| 860 |
+
_em_imaging.electron_beam_tilt_params ?
|
| 861 |
+
#
|
| 862 |
+
_em_vitrification.entry_id 1LU3
|
| 863 |
+
_em_vitrification.id 1
|
| 864 |
+
_em_vitrification.instrument 'HOMEMADE PLUNGER'
|
| 865 |
+
_em_vitrification.cryogen_name ETHANE
|
| 866 |
+
_em_vitrification.specimen_id 1
|
| 867 |
+
_em_vitrification.details 'Rapid-freezing in liquid ethane'
|
| 868 |
+
_em_vitrification.citation_id ?
|
| 869 |
+
_em_vitrification.humidity ?
|
| 870 |
+
_em_vitrification.method ?
|
| 871 |
+
_em_vitrification.temp ?
|
| 872 |
+
_em_vitrification.time_resolved_state ?
|
| 873 |
+
#
|
| 874 |
+
_em_experiment.entry_id 1LU3
|
| 875 |
+
_em_experiment.id 1
|
| 876 |
+
_em_experiment.aggregation_state PARTICLE
|
| 877 |
+
_em_experiment.entity_assembly_id 1
|
| 878 |
+
_em_experiment.reconstruction_method 'SINGLE PARTICLE'
|
| 879 |
+
#
|
| 880 |
+
_em_single_particle_entity.entry_id 1LU3
|
| 881 |
+
_em_single_particle_entity.id 1
|
| 882 |
+
_em_single_particle_entity.point_symmetry C1
|
| 883 |
+
_em_single_particle_entity.image_processing_id 1
|
| 884 |
+
#
|
| 885 |
+
loop_
|
| 886 |
+
_chem_comp_atom.comp_id
|
| 887 |
+
_chem_comp_atom.atom_id
|
| 888 |
+
_chem_comp_atom.type_symbol
|
| 889 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 890 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 891 |
+
_chem_comp_atom.pdbx_ordinal
|
| 892 |
+
A OP3 O N N 1
|
| 893 |
+
A P P N N 2
|
| 894 |
+
A OP1 O N N 3
|
| 895 |
+
A OP2 O N N 4
|
| 896 |
+
A "O5'" O N N 5
|
| 897 |
+
A "C5'" C N N 6
|
| 898 |
+
A "C4'" C N R 7
|
| 899 |
+
A "O4'" O N N 8
|
| 900 |
+
A "C3'" C N S 9
|
| 901 |
+
A "O3'" O N N 10
|
| 902 |
+
A "C2'" C N R 11
|
| 903 |
+
A "O2'" O N N 12
|
| 904 |
+
A "C1'" C N R 13
|
| 905 |
+
A N9 N Y N 14
|
| 906 |
+
A C8 C Y N 15
|
| 907 |
+
A N7 N Y N 16
|
| 908 |
+
A C5 C Y N 17
|
| 909 |
+
A C6 C Y N 18
|
| 910 |
+
A N6 N N N 19
|
| 911 |
+
A N1 N Y N 20
|
| 912 |
+
A C2 C Y N 21
|
| 913 |
+
A N3 N Y N 22
|
| 914 |
+
A C4 C Y N 23
|
| 915 |
+
A HOP3 H N N 24
|
| 916 |
+
A HOP2 H N N 25
|
| 917 |
+
A "H5'" H N N 26
|
| 918 |
+
A "H5''" H N N 27
|
| 919 |
+
A "H4'" H N N 28
|
| 920 |
+
A "H3'" H N N 29
|
| 921 |
+
A "HO3'" H N N 30
|
| 922 |
+
A "H2'" H N N 31
|
| 923 |
+
A "HO2'" H N N 32
|
| 924 |
+
A "H1'" H N N 33
|
| 925 |
+
A H8 H N N 34
|
| 926 |
+
A H61 H N N 35
|
| 927 |
+
A H62 H N N 36
|
| 928 |
+
A H2 H N N 37
|
| 929 |
+
C OP3 O N N 38
|
| 930 |
+
C P P N N 39
|
| 931 |
+
C OP1 O N N 40
|
| 932 |
+
C OP2 O N N 41
|
| 933 |
+
C "O5'" O N N 42
|
| 934 |
+
C "C5'" C N N 43
|
| 935 |
+
C "C4'" C N R 44
|
| 936 |
+
C "O4'" O N N 45
|
| 937 |
+
C "C3'" C N S 46
|
| 938 |
+
C "O3'" O N N 47
|
| 939 |
+
C "C2'" C N R 48
|
| 940 |
+
C "O2'" O N N 49
|
| 941 |
+
C "C1'" C N R 50
|
| 942 |
+
C N1 N N N 51
|
| 943 |
+
C C2 C N N 52
|
| 944 |
+
C O2 O N N 53
|
| 945 |
+
C N3 N N N 54
|
| 946 |
+
C C4 C N N 55
|
| 947 |
+
C N4 N N N 56
|
| 948 |
+
C C5 C N N 57
|
| 949 |
+
C C6 C N N 58
|
| 950 |
+
C HOP3 H N N 59
|
| 951 |
+
C HOP2 H N N 60
|
| 952 |
+
C "H5'" H N N 61
|
| 953 |
+
C "H5''" H N N 62
|
| 954 |
+
C "H4'" H N N 63
|
| 955 |
+
C "H3'" H N N 64
|
| 956 |
+
C "HO3'" H N N 65
|
| 957 |
+
C "H2'" H N N 66
|
| 958 |
+
C "HO2'" H N N 67
|
| 959 |
+
C "H1'" H N N 68
|
| 960 |
+
C H41 H N N 69
|
| 961 |
+
C H42 H N N 70
|
| 962 |
+
C H5 H N N 71
|
| 963 |
+
C H6 H N N 72
|
| 964 |
+
G OP3 O N N 73
|
| 965 |
+
G P P N N 74
|
| 966 |
+
G OP1 O N N 75
|
| 967 |
+
G OP2 O N N 76
|
| 968 |
+
G "O5'" O N N 77
|
| 969 |
+
G "C5'" C N N 78
|
| 970 |
+
G "C4'" C N R 79
|
| 971 |
+
G "O4'" O N N 80
|
| 972 |
+
G "C3'" C N S 81
|
| 973 |
+
G "O3'" O N N 82
|
| 974 |
+
G "C2'" C N R 83
|
| 975 |
+
G "O2'" O N N 84
|
| 976 |
+
G "C1'" C N R 85
|
| 977 |
+
G N9 N Y N 86
|
| 978 |
+
G C8 C Y N 87
|
| 979 |
+
G N7 N Y N 88
|
| 980 |
+
G C5 C Y N 89
|
| 981 |
+
G C6 C N N 90
|
| 982 |
+
G O6 O N N 91
|
| 983 |
+
G N1 N N N 92
|
| 984 |
+
G C2 C N N 93
|
| 985 |
+
G N2 N N N 94
|
| 986 |
+
G N3 N N N 95
|
| 987 |
+
G C4 C Y N 96
|
| 988 |
+
G HOP3 H N N 97
|
| 989 |
+
G HOP2 H N N 98
|
| 990 |
+
G "H5'" H N N 99
|
| 991 |
+
G "H5''" H N N 100
|
| 992 |
+
G "H4'" H N N 101
|
| 993 |
+
G "H3'" H N N 102
|
| 994 |
+
G "HO3'" H N N 103
|
| 995 |
+
G "H2'" H N N 104
|
| 996 |
+
G "HO2'" H N N 105
|
| 997 |
+
G "H1'" H N N 106
|
| 998 |
+
G H8 H N N 107
|
| 999 |
+
G H1 H N N 108
|
| 1000 |
+
G H21 H N N 109
|
| 1001 |
+
G H22 H N N 110
|
| 1002 |
+
PSU N1 N N N 111
|
| 1003 |
+
PSU C2 C N N 112
|
| 1004 |
+
PSU N3 N N N 113
|
| 1005 |
+
PSU C4 C N N 114
|
| 1006 |
+
PSU C5 C N N 115
|
| 1007 |
+
PSU C6 C N N 116
|
| 1008 |
+
PSU O2 O N N 117
|
| 1009 |
+
PSU O4 O N N 118
|
| 1010 |
+
PSU "C1'" C N S 119
|
| 1011 |
+
PSU "C2'" C N R 120
|
| 1012 |
+
PSU "O2'" O N N 121
|
| 1013 |
+
PSU "C3'" C N S 122
|
| 1014 |
+
PSU "C4'" C N R 123
|
| 1015 |
+
PSU "O3'" O N N 124
|
| 1016 |
+
PSU "O4'" O N N 125
|
| 1017 |
+
PSU "C5'" C N N 126
|
| 1018 |
+
PSU "O5'" O N N 127
|
| 1019 |
+
PSU P P N N 128
|
| 1020 |
+
PSU OP1 O N N 129
|
| 1021 |
+
PSU OP2 O N N 130
|
| 1022 |
+
PSU OP3 O N N 131
|
| 1023 |
+
PSU HN1 H N N 132
|
| 1024 |
+
PSU HN3 H N N 133
|
| 1025 |
+
PSU H6 H N N 134
|
| 1026 |
+
PSU "H1'" H N N 135
|
| 1027 |
+
PSU "H2'" H N N 136
|
| 1028 |
+
PSU "HO2'" H N N 137
|
| 1029 |
+
PSU "H3'" H N N 138
|
| 1030 |
+
PSU "H4'" H N N 139
|
| 1031 |
+
PSU "HO3'" H N N 140
|
| 1032 |
+
PSU "H5'" H N N 141
|
| 1033 |
+
PSU "H5''" H N N 142
|
| 1034 |
+
PSU HOP2 H N N 143
|
| 1035 |
+
PSU HOP3 H N N 144
|
| 1036 |
+
U OP3 O N N 145
|
| 1037 |
+
U P P N N 146
|
| 1038 |
+
U OP1 O N N 147
|
| 1039 |
+
U OP2 O N N 148
|
| 1040 |
+
U "O5'" O N N 149
|
| 1041 |
+
U "C5'" C N N 150
|
| 1042 |
+
U "C4'" C N R 151
|
| 1043 |
+
U "O4'" O N N 152
|
| 1044 |
+
U "C3'" C N S 153
|
| 1045 |
+
U "O3'" O N N 154
|
| 1046 |
+
U "C2'" C N R 155
|
| 1047 |
+
U "O2'" O N N 156
|
| 1048 |
+
U "C1'" C N R 157
|
| 1049 |
+
U N1 N N N 158
|
| 1050 |
+
U C2 C N N 159
|
| 1051 |
+
U O2 O N N 160
|
| 1052 |
+
U N3 N N N 161
|
| 1053 |
+
U C4 C N N 162
|
| 1054 |
+
U O4 O N N 163
|
| 1055 |
+
U C5 C N N 164
|
| 1056 |
+
U C6 C N N 165
|
| 1057 |
+
U HOP3 H N N 166
|
| 1058 |
+
U HOP2 H N N 167
|
| 1059 |
+
U "H5'" H N N 168
|
| 1060 |
+
U "H5''" H N N 169
|
| 1061 |
+
U "H4'" H N N 170
|
| 1062 |
+
U "H3'" H N N 171
|
| 1063 |
+
U "HO3'" H N N 172
|
| 1064 |
+
U "H2'" H N N 173
|
| 1065 |
+
U "HO2'" H N N 174
|
| 1066 |
+
U "H1'" H N N 175
|
| 1067 |
+
U H3 H N N 176
|
| 1068 |
+
U H5 H N N 177
|
| 1069 |
+
U H6 H N N 178
|
| 1070 |
+
#
|
| 1071 |
+
loop_
|
| 1072 |
+
_chem_comp_bond.comp_id
|
| 1073 |
+
_chem_comp_bond.atom_id_1
|
| 1074 |
+
_chem_comp_bond.atom_id_2
|
| 1075 |
+
_chem_comp_bond.value_order
|
| 1076 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 1077 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 1078 |
+
_chem_comp_bond.pdbx_ordinal
|
| 1079 |
+
A OP3 P sing N N 1
|
| 1080 |
+
A OP3 HOP3 sing N N 2
|
| 1081 |
+
A P OP1 doub N N 3
|
| 1082 |
+
A P OP2 sing N N 4
|
| 1083 |
+
A P "O5'" sing N N 5
|
| 1084 |
+
A OP2 HOP2 sing N N 6
|
| 1085 |
+
A "O5'" "C5'" sing N N 7
|
| 1086 |
+
A "C5'" "C4'" sing N N 8
|
| 1087 |
+
A "C5'" "H5'" sing N N 9
|
| 1088 |
+
A "C5'" "H5''" sing N N 10
|
| 1089 |
+
A "C4'" "O4'" sing N N 11
|
| 1090 |
+
A "C4'" "C3'" sing N N 12
|
| 1091 |
+
A "C4'" "H4'" sing N N 13
|
| 1092 |
+
A "O4'" "C1'" sing N N 14
|
| 1093 |
+
A "C3'" "O3'" sing N N 15
|
| 1094 |
+
A "C3'" "C2'" sing N N 16
|
| 1095 |
+
A "C3'" "H3'" sing N N 17
|
| 1096 |
+
A "O3'" "HO3'" sing N N 18
|
| 1097 |
+
A "C2'" "O2'" sing N N 19
|
| 1098 |
+
A "C2'" "C1'" sing N N 20
|
| 1099 |
+
A "C2'" "H2'" sing N N 21
|
| 1100 |
+
A "O2'" "HO2'" sing N N 22
|
| 1101 |
+
A "C1'" N9 sing N N 23
|
| 1102 |
+
A "C1'" "H1'" sing N N 24
|
| 1103 |
+
A N9 C8 sing Y N 25
|
| 1104 |
+
A N9 C4 sing Y N 26
|
| 1105 |
+
A C8 N7 doub Y N 27
|
| 1106 |
+
A C8 H8 sing N N 28
|
| 1107 |
+
A N7 C5 sing Y N 29
|
| 1108 |
+
A C5 C6 sing Y N 30
|
| 1109 |
+
A C5 C4 doub Y N 31
|
| 1110 |
+
A C6 N6 sing N N 32
|
| 1111 |
+
A C6 N1 doub Y N 33
|
| 1112 |
+
A N6 H61 sing N N 34
|
| 1113 |
+
A N6 H62 sing N N 35
|
| 1114 |
+
A N1 C2 sing Y N 36
|
| 1115 |
+
A C2 N3 doub Y N 37
|
| 1116 |
+
A C2 H2 sing N N 38
|
| 1117 |
+
A N3 C4 sing Y N 39
|
| 1118 |
+
C OP3 P sing N N 40
|
| 1119 |
+
C OP3 HOP3 sing N N 41
|
| 1120 |
+
C P OP1 doub N N 42
|
| 1121 |
+
C P OP2 sing N N 43
|
| 1122 |
+
C P "O5'" sing N N 44
|
| 1123 |
+
C OP2 HOP2 sing N N 45
|
| 1124 |
+
C "O5'" "C5'" sing N N 46
|
| 1125 |
+
C "C5'" "C4'" sing N N 47
|
| 1126 |
+
C "C5'" "H5'" sing N N 48
|
| 1127 |
+
C "C5'" "H5''" sing N N 49
|
| 1128 |
+
C "C4'" "O4'" sing N N 50
|
| 1129 |
+
C "C4'" "C3'" sing N N 51
|
| 1130 |
+
C "C4'" "H4'" sing N N 52
|
| 1131 |
+
C "O4'" "C1'" sing N N 53
|
| 1132 |
+
C "C3'" "O3'" sing N N 54
|
| 1133 |
+
C "C3'" "C2'" sing N N 55
|
| 1134 |
+
C "C3'" "H3'" sing N N 56
|
| 1135 |
+
C "O3'" "HO3'" sing N N 57
|
| 1136 |
+
C "C2'" "O2'" sing N N 58
|
| 1137 |
+
C "C2'" "C1'" sing N N 59
|
| 1138 |
+
C "C2'" "H2'" sing N N 60
|
| 1139 |
+
C "O2'" "HO2'" sing N N 61
|
| 1140 |
+
C "C1'" N1 sing N N 62
|
| 1141 |
+
C "C1'" "H1'" sing N N 63
|
| 1142 |
+
C N1 C2 sing N N 64
|
| 1143 |
+
C N1 C6 sing N N 65
|
| 1144 |
+
C C2 O2 doub N N 66
|
| 1145 |
+
C C2 N3 sing N N 67
|
| 1146 |
+
C N3 C4 doub N N 68
|
| 1147 |
+
C C4 N4 sing N N 69
|
| 1148 |
+
C C4 C5 sing N N 70
|
| 1149 |
+
C N4 H41 sing N N 71
|
| 1150 |
+
C N4 H42 sing N N 72
|
| 1151 |
+
C C5 C6 doub N N 73
|
| 1152 |
+
C C5 H5 sing N N 74
|
| 1153 |
+
C C6 H6 sing N N 75
|
| 1154 |
+
G OP3 P sing N N 76
|
| 1155 |
+
G OP3 HOP3 sing N N 77
|
| 1156 |
+
G P OP1 doub N N 78
|
| 1157 |
+
G P OP2 sing N N 79
|
| 1158 |
+
G P "O5'" sing N N 80
|
| 1159 |
+
G OP2 HOP2 sing N N 81
|
| 1160 |
+
G "O5'" "C5'" sing N N 82
|
| 1161 |
+
G "C5'" "C4'" sing N N 83
|
| 1162 |
+
G "C5'" "H5'" sing N N 84
|
| 1163 |
+
G "C5'" "H5''" sing N N 85
|
| 1164 |
+
G "C4'" "O4'" sing N N 86
|
| 1165 |
+
G "C4'" "C3'" sing N N 87
|
| 1166 |
+
G "C4'" "H4'" sing N N 88
|
| 1167 |
+
G "O4'" "C1'" sing N N 89
|
| 1168 |
+
G "C3'" "O3'" sing N N 90
|
| 1169 |
+
G "C3'" "C2'" sing N N 91
|
| 1170 |
+
G "C3'" "H3'" sing N N 92
|
| 1171 |
+
G "O3'" "HO3'" sing N N 93
|
| 1172 |
+
G "C2'" "O2'" sing N N 94
|
| 1173 |
+
G "C2'" "C1'" sing N N 95
|
| 1174 |
+
G "C2'" "H2'" sing N N 96
|
| 1175 |
+
G "O2'" "HO2'" sing N N 97
|
| 1176 |
+
G "C1'" N9 sing N N 98
|
| 1177 |
+
G "C1'" "H1'" sing N N 99
|
| 1178 |
+
G N9 C8 sing Y N 100
|
| 1179 |
+
G N9 C4 sing Y N 101
|
| 1180 |
+
G C8 N7 doub Y N 102
|
| 1181 |
+
G C8 H8 sing N N 103
|
| 1182 |
+
G N7 C5 sing Y N 104
|
| 1183 |
+
G C5 C6 sing N N 105
|
| 1184 |
+
G C5 C4 doub Y N 106
|
| 1185 |
+
G C6 O6 doub N N 107
|
| 1186 |
+
G C6 N1 sing N N 108
|
| 1187 |
+
G N1 C2 sing N N 109
|
| 1188 |
+
G N1 H1 sing N N 110
|
| 1189 |
+
G C2 N2 sing N N 111
|
| 1190 |
+
G C2 N3 doub N N 112
|
| 1191 |
+
G N2 H21 sing N N 113
|
| 1192 |
+
G N2 H22 sing N N 114
|
| 1193 |
+
G N3 C4 sing N N 115
|
| 1194 |
+
PSU N1 C2 sing N N 116
|
| 1195 |
+
PSU N1 C6 sing N N 117
|
| 1196 |
+
PSU N1 HN1 sing N N 118
|
| 1197 |
+
PSU C2 N3 sing N N 119
|
| 1198 |
+
PSU C2 O2 doub N N 120
|
| 1199 |
+
PSU N3 C4 sing N N 121
|
| 1200 |
+
PSU N3 HN3 sing N N 122
|
| 1201 |
+
PSU C4 C5 sing N N 123
|
| 1202 |
+
PSU C4 O4 doub N N 124
|
| 1203 |
+
PSU C5 C6 doub N N 125
|
| 1204 |
+
PSU C5 "C1'" sing N N 126
|
| 1205 |
+
PSU C6 H6 sing N N 127
|
| 1206 |
+
PSU "C1'" "C2'" sing N N 128
|
| 1207 |
+
PSU "C1'" "O4'" sing N N 129
|
| 1208 |
+
PSU "C1'" "H1'" sing N N 130
|
| 1209 |
+
PSU "C2'" "O2'" sing N N 131
|
| 1210 |
+
PSU "C2'" "C3'" sing N N 132
|
| 1211 |
+
PSU "C2'" "H2'" sing N N 133
|
| 1212 |
+
PSU "O2'" "HO2'" sing N N 134
|
| 1213 |
+
PSU "C3'" "C4'" sing N N 135
|
| 1214 |
+
PSU "C3'" "O3'" sing N N 136
|
| 1215 |
+
PSU "C3'" "H3'" sing N N 137
|
| 1216 |
+
PSU "C4'" "O4'" sing N N 138
|
| 1217 |
+
PSU "C4'" "C5'" sing N N 139
|
| 1218 |
+
PSU "C4'" "H4'" sing N N 140
|
| 1219 |
+
PSU "O3'" "HO3'" sing N N 141
|
| 1220 |
+
PSU "C5'" "O5'" sing N N 142
|
| 1221 |
+
PSU "C5'" "H5'" sing N N 143
|
| 1222 |
+
PSU "C5'" "H5''" sing N N 144
|
| 1223 |
+
PSU "O5'" P sing N N 145
|
| 1224 |
+
PSU P OP1 doub N N 146
|
| 1225 |
+
PSU P OP2 sing N N 147
|
| 1226 |
+
PSU P OP3 sing N N 148
|
| 1227 |
+
PSU OP2 HOP2 sing N N 149
|
| 1228 |
+
PSU OP3 HOP3 sing N N 150
|
| 1229 |
+
U OP3 P sing N N 151
|
| 1230 |
+
U OP3 HOP3 sing N N 152
|
| 1231 |
+
U P OP1 doub N N 153
|
| 1232 |
+
U P OP2 sing N N 154
|
| 1233 |
+
U P "O5'" sing N N 155
|
| 1234 |
+
U OP2 HOP2 sing N N 156
|
| 1235 |
+
U "O5'" "C5'" sing N N 157
|
| 1236 |
+
U "C5'" "C4'" sing N N 158
|
| 1237 |
+
U "C5'" "H5'" sing N N 159
|
| 1238 |
+
U "C5'" "H5''" sing N N 160
|
| 1239 |
+
U "C4'" "O4'" sing N N 161
|
| 1240 |
+
U "C4'" "C3'" sing N N 162
|
| 1241 |
+
U "C4'" "H4'" sing N N 163
|
| 1242 |
+
U "O4'" "C1'" sing N N 164
|
| 1243 |
+
U "C3'" "O3'" sing N N 165
|
| 1244 |
+
U "C3'" "C2'" sing N N 166
|
| 1245 |
+
U "C3'" "H3'" sing N N 167
|
| 1246 |
+
U "O3'" "HO3'" sing N N 168
|
| 1247 |
+
U "C2'" "O2'" sing N N 169
|
| 1248 |
+
U "C2'" "C1'" sing N N 170
|
| 1249 |
+
U "C2'" "H2'" sing N N 171
|
| 1250 |
+
U "O2'" "HO2'" sing N N 172
|
| 1251 |
+
U "C1'" N1 sing N N 173
|
| 1252 |
+
U "C1'" "H1'" sing N N 174
|
| 1253 |
+
U N1 C2 sing N N 175
|
| 1254 |
+
U N1 C6 sing N N 176
|
| 1255 |
+
U C2 O2 doub N N 177
|
| 1256 |
+
U C2 N3 sing N N 178
|
| 1257 |
+
U N3 C4 sing N N 179
|
| 1258 |
+
U N3 H3 sing N N 180
|
| 1259 |
+
U C4 O4 doub N N 181
|
| 1260 |
+
U C4 C5 sing N N 182
|
| 1261 |
+
U C5 C6 doub N N 183
|
| 1262 |
+
U C5 H5 sing N N 184
|
| 1263 |
+
U C6 H6 sing N N 185
|
| 1264 |
+
#
|
| 1265 |
+
_em_ctf_correction.id 1
|
| 1266 |
+
_em_ctf_correction.details 'CTF correction of 3D-maps'
|
| 1267 |
+
_em_ctf_correction.type .
|
| 1268 |
+
#
|
| 1269 |
+
_em_image_processing.id 1
|
| 1270 |
+
_em_image_processing.image_recording_id 1
|
| 1271 |
+
_em_image_processing.details ?
|
| 1272 |
+
#
|
| 1273 |
+
_em_image_recording.details ?
|
| 1274 |
+
_em_image_recording.id 1
|
| 1275 |
+
_em_image_recording.avg_electron_dose_per_image 10
|
| 1276 |
+
_em_image_recording.film_or_detector_model 'KODAK SO-163 FILM'
|
| 1277 |
+
_em_image_recording.imaging_id 1
|
| 1278 |
+
_em_image_recording.detector_mode ?
|
| 1279 |
+
_em_image_recording.average_exposure_time ?
|
| 1280 |
+
_em_image_recording.num_diffraction_images ?
|
| 1281 |
+
_em_image_recording.num_grids_imaged ?
|
| 1282 |
+
_em_image_recording.num_real_images ?
|
| 1283 |
+
#
|
| 1284 |
+
loop_
|
| 1285 |
+
_em_software.id
|
| 1286 |
+
_em_software.name
|
| 1287 |
+
_em_software.version
|
| 1288 |
+
_em_software.category
|
| 1289 |
+
_em_software.details
|
| 1290 |
+
_em_software.image_processing_id
|
| 1291 |
+
1 O ? 'MODEL FITTING' Manual ?
|
| 1292 |
+
2 SPIDER ? RECONSTRUCTION ? 1
|
| 1293 |
+
#
|
| 1294 |
+
_em_specimen.experiment_id 1
|
| 1295 |
+
_em_specimen.id 1
|
| 1296 |
+
_em_specimen.concentration ?
|
| 1297 |
+
_em_specimen.vitrification_applied YES
|
| 1298 |
+
_em_specimen.staining_applied NO
|
| 1299 |
+
_em_specimen.embedding_applied NO
|
| 1300 |
+
_em_specimen.shadowing_applied NO
|
| 1301 |
+
_em_specimen.details ?
|
| 1302 |
+
#
|
| 1303 |
+
loop_
|
| 1304 |
+
_ndb_struct_conf_na.entry_id
|
| 1305 |
+
_ndb_struct_conf_na.feature
|
| 1306 |
+
1LU3 'a-form double helix'
|
| 1307 |
+
1LU3 'hairpin loop'
|
| 1308 |
+
1LU3 'mismatched base pair'
|
| 1309 |
+
#
|
| 1310 |
+
loop_
|
| 1311 |
+
_ndb_struct_na_base_pair.model_number
|
| 1312 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1313 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1314 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1315 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1316 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1317 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1318 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1319 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1320 |
+
_ndb_struct_na_base_pair.shear
|
| 1321 |
+
_ndb_struct_na_base_pair.stretch
|
| 1322 |
+
_ndb_struct_na_base_pair.stagger
|
| 1323 |
+
_ndb_struct_na_base_pair.buckle
|
| 1324 |
+
_ndb_struct_na_base_pair.propeller
|
| 1325 |
+
_ndb_struct_na_base_pair.opening
|
| 1326 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1327 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1328 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1329 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1330 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1331 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1332 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1333 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1334 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1335 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1336 |
+
1 A C 3 1_555 A G 17 1_555 -0.155 -0.336 -1.123 18.124 -5.261 -1.690 1 A_C28:G42_A A 28 ? A 42 ? 19 1
|
| 1337 |
+
1 A A 4 1_555 A U 16 1_555 0.424 -0.356 -0.944 -11.369 9.170 -9.272 2 A_A29:U41_A A 29 ? A 41 ? 20 1
|
| 1338 |
+
1 A G 5 1_555 A C 15 1_555 -0.328 -0.183 -0.522 -18.822 -5.476 -9.858 3 A_G30:C40_A A 30 ? A 40 ? 19 1
|
| 1339 |
+
1 A A 6 1_555 A PSU 14 1_555 1.382 -0.235 -0.303 -11.199 -2.069 -10.542 4 A_A31:PSU39_A A 31 ? A 39 ? 21 1
|
| 1340 |
+
#
|
| 1341 |
+
loop_
|
| 1342 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1343 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1344 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1345 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1346 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1347 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1348 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1349 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1350 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1351 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1352 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1353 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1354 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1355 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1356 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1357 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1358 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1359 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1360 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1361 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1362 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1363 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1364 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1365 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1366 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1367 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1368 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1369 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1370 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1371 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1372 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1373 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1374 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1375 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1376 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1377 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1378 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1379 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1380 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1381 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1382 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1383 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1384 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1385 |
+
1 A C 3 1_555 A G 17 1_555 A A 4 1_555 A U 16 1_555 -0.304 -1.568 4.300 -4.602 13.459 33.490 -4.843 -0.308 3.450 22.156 7.575
|
| 1386 |
+
36.305 1 AA_C28A29:U41G42_AA A 28 ? A 42 ? A 29 ? A 41 ?
|
| 1387 |
+
1 A A 4 1_555 A U 16 1_555 A G 5 1_555 A C 15 1_555 -0.096 -2.220 3.468 0.074 4.955 26.379 -6.060 0.225 3.007 10.737 -0.161
|
| 1388 |
+
26.832 2 AA_A29G30:C40U41_AA A 29 ? A 41 ? A 30 ? A 40 ?
|
| 1389 |
+
1 A G 5 1_555 A C 15 1_555 A A 6 1_555 A PSU 14 1_555 0.315 -1.474 2.922 2.339 1.905 40.349 -2.320 -0.223 2.866 2.757 -3.385
|
| 1390 |
+
40.457 3 AA_G30A31:PSU39C40_AA A 30 ? A 40 ? A 31 ? A 39 ?
|
| 1391 |
+
#
|
| 1392 |
+
_pdbx_initial_refinement_model.id 1
|
| 1393 |
+
_pdbx_initial_refinement_model.type 'experimental model'
|
| 1394 |
+
_pdbx_initial_refinement_model.source_name PDB
|
| 1395 |
+
_pdbx_initial_refinement_model.accession_code 1TTT
|
| 1396 |
+
#
|
| 1397 |
+
_pdbx_struct_chem_comp_diagnostics.ordinal 1
|
| 1398 |
+
_pdbx_struct_chem_comp_diagnostics.asym_id A
|
| 1399 |
+
_pdbx_struct_chem_comp_diagnostics.auth_comp_id PSU
|
| 1400 |
+
_pdbx_struct_chem_comp_diagnostics.auth_seq_id 39
|
| 1401 |
+
_pdbx_struct_chem_comp_diagnostics.pdb_ins_code ?
|
| 1402 |
+
_pdbx_struct_chem_comp_diagnostics.pdb_strand_id A
|
| 1403 |
+
_pdbx_struct_chem_comp_diagnostics.seq_num 14
|
| 1404 |
+
_pdbx_struct_chem_comp_diagnostics.type GEOMETRY
|
| 1405 |
+
#
|
| 1406 |
+
_atom_sites.entry_id 1LU3
|
| 1407 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 1408 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1409 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1410 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1411 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 1412 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1413 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1414 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1415 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 1416 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1417 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1418 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1419 |
+
#
|
| 1420 |
+
loop_
|
| 1421 |
+
_atom_type.symbol
|
| 1422 |
+
C
|
| 1423 |
+
N
|
| 1424 |
+
O
|
| 1425 |
+
P
|
| 1426 |
+
#
|
| 1427 |
+
loop_
|
| 1428 |
+
_atom_site.group_PDB
|
| 1429 |
+
_atom_site.id
|
| 1430 |
+
_atom_site.type_symbol
|
| 1431 |
+
_atom_site.label_atom_id
|
| 1432 |
+
_atom_site.label_alt_id
|
| 1433 |
+
_atom_site.label_comp_id
|
| 1434 |
+
_atom_site.label_asym_id
|
| 1435 |
+
_atom_site.label_entity_id
|
| 1436 |
+
_atom_site.label_seq_id
|
| 1437 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1438 |
+
_atom_site.Cartn_x
|
| 1439 |
+
_atom_site.Cartn_y
|
| 1440 |
+
_atom_site.Cartn_z
|
| 1441 |
+
_atom_site.occupancy
|
| 1442 |
+
_atom_site.B_iso_or_equiv
|
| 1443 |
+
_atom_site.pdbx_formal_charge
|
| 1444 |
+
_atom_site.auth_seq_id
|
| 1445 |
+
_atom_site.auth_comp_id
|
| 1446 |
+
_atom_site.auth_asym_id
|
| 1447 |
+
_atom_site.auth_atom_id
|
| 1448 |
+
_atom_site.pdbx_PDB_model_num
|
| 1449 |
+
ATOM 1 P P . G A 1 1 ? -44.216 6.557 -12.679 1.00 0.00 ? 26 G A P 1
|
| 1450 |
+
ATOM 2 O OP1 . G A 1 1 ? -45.545 7.032 -13.155 1.00 0.00 ? 26 G A OP1 1
|
| 1451 |
+
ATOM 3 O OP2 . G A 1 1 ? -44.068 6.872 -11.230 1.00 0.00 ? 26 G A OP2 1
|
| 1452 |
+
ATOM 4 O "O5'" . G A 1 1 ? -43.073 7.300 -13.515 1.00 0.00 ? 26 G A "O5'" 1
|
| 1453 |
+
ATOM 5 C "C5'" . G A 1 1 ? -41.681 7.159 -13.220 1.00 0.00 ? 26 G A "C5'" 1
|
| 1454 |
+
ATOM 6 C "C4'" . G A 1 1 ? -40.883 7.757 -14.394 1.00 0.00 ? 26 G A "C4'" 1
|
| 1455 |
+
ATOM 7 O "O4'" . G A 1 1 ? -41.298 7.126 -15.606 1.00 0.00 ? 26 G A "O4'" 1
|
| 1456 |
+
ATOM 8 C "C3'" . G A 1 1 ? -41.306 9.218 -14.602 1.00 0.00 ? 26 G A "C3'" 1
|
| 1457 |
+
ATOM 9 O "O3'" . G A 1 1 ? -40.568 10.092 -13.742 1.00 0.00 ? 26 G A "O3'" 1
|
| 1458 |
+
ATOM 10 C "C2'" . G A 1 1 ? -41.047 9.452 -16.100 1.00 0.00 ? 26 G A "C2'" 1
|
| 1459 |
+
ATOM 11 O "O2'" . G A 1 1 ? -39.750 10.021 -16.300 1.00 0.00 ? 26 G A "O2'" 1
|
| 1460 |
+
ATOM 12 C "C1'" . G A 1 1 ? -41.030 8.025 -16.690 1.00 0.00 ? 26 G A "C1'" 1
|
| 1461 |
+
ATOM 13 N N9 . G A 1 1 ? -42.076 7.897 -17.686 1.00 0.00 ? 26 G A N9 1
|
| 1462 |
+
ATOM 14 C C8 . G A 1 1 ? -43.293 7.487 -17.466 1.00 0.00 ? 26 G A C8 1
|
| 1463 |
+
ATOM 15 N N7 . G A 1 1 ? -43.940 7.484 -18.549 1.00 0.00 ? 26 G A N7 1
|
| 1464 |
+
ATOM 16 C C5 . G A 1 1 ? -43.089 7.930 -19.617 1.00 0.00 ? 26 G A C5 1
|
| 1465 |
+
ATOM 17 C C6 . G A 1 1 ? -43.176 8.160 -21.061 1.00 0.00 ? 26 G A C6 1
|
| 1466 |
+
ATOM 18 O O6 . G A 1 1 ? -44.218 7.960 -21.661 1.00 0.00 ? 26 G A O6 1
|
| 1467 |
+
ATOM 19 N N1 . G A 1 1 ? -42.031 8.600 -21.644 1.00 0.00 ? 26 G A N1 1
|
| 1468 |
+
ATOM 20 C C2 . G A 1 1 ? -40.879 8.818 -20.954 1.00 0.00 ? 26 G A C2 1
|
| 1469 |
+
ATOM 21 N N2 . G A 1 1 ? -39.861 9.235 -21.646 1.00 0.00 ? 26 G A N2 1
|
| 1470 |
+
ATOM 22 N N3 . G A 1 1 ? -40.802 8.622 -19.696 1.00 0.00 ? 26 G A N3 1
|
| 1471 |
+
ATOM 23 C C4 . G A 1 1 ? -41.950 8.154 -18.963 1.00 0.00 ? 26 G A C4 1
|
| 1472 |
+
ATOM 24 P P . C A 1 2 ? -41.021 11.616 -13.574 1.00 0.00 ? 27 C A P 1
|
| 1473 |
+
ATOM 25 O OP1 . C A 1 2 ? -40.169 12.288 -12.553 1.00 0.00 ? 27 C A OP1 1
|
| 1474 |
+
ATOM 26 O OP2 . C A 1 2 ? -42.443 11.650 -13.126 1.00 0.00 ? 27 C A OP2 1
|
| 1475 |
+
ATOM 27 O "O5'" . C A 1 2 ? -40.901 12.387 -14.967 1.00 0.00 ? 27 C A "O5'" 1
|
| 1476 |
+
ATOM 28 C "C5'" . C A 1 2 ? -39.654 12.800 -15.539 1.00 0.00 ? 27 C A "C5'" 1
|
| 1477 |
+
ATOM 29 C "C4'" . C A 1 2 ? -39.957 13.502 -16.878 1.00 0.00 ? 27 C A "C4'" 1
|
| 1478 |
+
ATOM 30 O "O4'" . C A 1 2 ? -40.480 12.537 -17.793 1.00 0.00 ? 27 C A "O4'" 1
|
| 1479 |
+
ATOM 31 C "C3'" . C A 1 2 ? -41.119 14.482 -16.669 1.00 0.00 ? 27 C A "C3'" 1
|
| 1480 |
+
ATOM 32 O "O3'" . C A 1 2 ? -40.639 15.743 -16.194 1.00 0.00 ? 27 C A "O3'" 1
|
| 1481 |
+
ATOM 33 C "C2'" . C A 1 2 ? -41.798 14.537 -18.047 1.00 0.00 ? 27 C A "C2'" 1
|
| 1482 |
+
ATOM 34 O "O2'" . C A 1 2 ? -41.226 15.587 -18.832 1.00 0.00 ? 27 C A "O2'" 1
|
| 1483 |
+
ATOM 35 C "C1'" . C A 1 2 ? -41.388 13.194 -18.691 1.00 0.00 ? 27 C A "C1'" 1
|
| 1484 |
+
ATOM 36 N N1 . C A 1 2 ? -42.547 12.335 -18.876 1.00 0.00 ? 27 C A N1 1
|
| 1485 |
+
ATOM 37 C C2 . C A 1 2 ? -43.213 12.325 -20.048 1.00 0.00 ? 27 C A C2 1
|
| 1486 |
+
ATOM 38 O O2 . C A 1 2 ? -42.899 13.040 -20.986 1.00 0.00 ? 27 C A O2 1
|
| 1487 |
+
ATOM 39 N N3 . C A 1 2 ? -44.342 11.441 -20.226 1.00 0.00 ? 27 C A N3 1
|
| 1488 |
+
ATOM 40 C C4 . C A 1 2 ? -44.729 10.668 -19.294 1.00 0.00 ? 27 C A C4 1
|
| 1489 |
+
ATOM 41 N N4 . C A 1 2 ? -45.729 9.849 -19.423 1.00 0.00 ? 27 C A N4 1
|
| 1490 |
+
ATOM 42 C C5 . C A 1 2 ? -44.000 10.720 -18.013 1.00 0.00 ? 27 C A C5 1
|
| 1491 |
+
ATOM 43 C C6 . C A 1 2 ? -42.954 11.539 -17.861 1.00 0.00 ? 27 C A C6 1
|
| 1492 |
+
ATOM 44 P P . C A 1 3 ? -41.663 16.852 -15.668 1.00 0.00 ? 28 C A P 1
|
| 1493 |
+
ATOM 45 O OP1 . C A 1 3 ? -40.912 17.982 -15.054 1.00 0.00 ? 28 C A OP1 1
|
| 1494 |
+
ATOM 46 O OP2 . C A 1 3 ? -42.562 16.241 -14.649 1.00 0.00 ? 28 C A OP2 1
|
| 1495 |
+
ATOM 47 O "O5'" . C A 1 3 ? -42.544 17.395 -16.886 1.00 0.00 ? 28 C A "O5'" 1
|
| 1496 |
+
ATOM 48 C "C5'" . C A 1 3 ? -41.987 18.239 -17.899 1.00 0.00 ? 28 C A "C5'" 1
|
| 1497 |
+
ATOM 49 C "C4'" . C A 1 3 ? -43.081 18.512 -18.946 1.00 0.00 ? 28 C A "C4'" 1
|
| 1498 |
+
ATOM 50 O "O4'" . C A 1 3 ? -43.402 17.291 -19.618 1.00 0.00 ? 28 C A "O4'" 1
|
| 1499 |
+
ATOM 51 C "C3'" . C A 1 3 ? -44.383 18.902 -18.236 1.00 0.00 ? 28 C A "C3'" 1
|
| 1500 |
+
ATOM 52 O "O3'" . C A 1 3 ? -44.390 20.293 -17.905 1.00 0.00 ? 28 C A "O3'" 1
|
| 1501 |
+
ATOM 53 C "C2'" . C A 1 3 ? -45.450 18.501 -19.266 1.00 0.00 ? 28 C A "C2'" 1
|
| 1502 |
+
ATOM 54 O "O2'" . C A 1 3 ? -45.599 19.555 -20.221 1.00 0.00 ? 28 C A "O2'" 1
|
| 1503 |
+
ATOM 55 C "C1'" . C A 1 3 ? -44.787 17.317 -19.995 1.00 0.00 ? 28 C A "C1'" 1
|
| 1504 |
+
ATOM 56 N N1 . C A 1 3 ? -45.396 16.057 -19.604 1.00 0.00 ? 28 C A N1 1
|
| 1505 |
+
ATOM 57 C C2 . C A 1 3 ? -46.339 15.486 -20.382 1.00 0.00 ? 28 C A C2 1
|
| 1506 |
+
ATOM 58 O O2 . C A 1 3 ? -46.723 15.999 -21.420 1.00 0.00 ? 28 C A O2 1
|
| 1507 |
+
ATOM 59 N N3 . C A 1 3 ? -46.920 14.223 -19.996 1.00 0.00 ? 28 C A N3 1
|
| 1508 |
+
ATOM 60 C C4 . C A 1 3 ? -46.569 13.630 -18.929 1.00 0.00 ? 28 C A C4 1
|
| 1509 |
+
ATOM 61 N N4 . C A 1 3 ? -47.069 12.490 -18.556 1.00 0.00 ? 28 C A N4 1
|
| 1510 |
+
ATOM 62 C C5 . C A 1 3 ? -45.547 14.282 -18.088 1.00 0.00 ? 28 C A C5 1
|
| 1511 |
+
ATOM 63 C C6 . C A 1 3 ? -45.012 15.453 -18.456 1.00 0.00 ? 28 C A C6 1
|
| 1512 |
+
ATOM 64 P P . A A 1 4 ? -45.550 20.915 -16.997 1.00 0.00 ? 29 A A P 1
|
| 1513 |
+
ATOM 65 O OP1 . A A 1 4 ? -45.249 22.346 -16.707 1.00 0.00 ? 29 A A OP1 1
|
| 1514 |
+
ATOM 66 O OP2 . A A 1 4 ? -45.628 20.158 -15.717 1.00 0.00 ? 29 A A OP2 1
|
| 1515 |
+
ATOM 67 O "O5'" . A A 1 4 ? -46.951 20.804 -17.761 1.00 0.00 ? 29 A A "O5'" 1
|
| 1516 |
+
ATOM 68 C "C5'" . A A 1 4 ? -47.207 21.576 -18.939 1.00 0.00 ? 29 A A "C5'" 1
|
| 1517 |
+
ATOM 69 C "C4'" . A A 1 4 ? -48.474 21.025 -19.615 1.00 0.00 ? 29 A A "C4'" 1
|
| 1518 |
+
ATOM 70 O "O4'" . A A 1 4 ? -48.297 19.635 -19.893 1.00 0.00 ? 29 A A "O4'" 1
|
| 1519 |
+
ATOM 71 C "C3'" . A A 1 4 ? -49.651 21.033 -18.631 1.00 0.00 ? 29 A A "C3'" 1
|
| 1520 |
+
ATOM 72 O "O3'" . A A 1 4 ? -50.250 22.330 -18.554 1.00 0.00 ? 29 A A "O3'" 1
|
| 1521 |
+
ATOM 73 C "C2'" . A A 1 4 ? -50.573 19.957 -19.229 1.00 0.00 ? 29 A A "C2'" 1
|
| 1522 |
+
ATOM 74 O "O2'" . A A 1 4 ? -51.397 20.540 -20.243 1.00 0.00 ? 29 A A "O2'" 1
|
| 1523 |
+
ATOM 75 C "C1'" . A A 1 4 ? -49.588 19.013 -19.948 1.00 0.00 ? 29 A A "C1'" 1
|
| 1524 |
+
ATOM 76 N N9 . A A 1 4 ? -49.534 17.740 -19.250 1.00 0.00 ? 29 A A N9 1
|
| 1525 |
+
ATOM 77 C C8 . A A 1 4 ? -48.517 17.262 -18.585 1.00 0.00 ? 29 A A C8 1
|
| 1526 |
+
ATOM 78 N N7 . A A 1 4 ? -48.800 16.140 -18.068 1.00 0.00 ? 29 A A N7 1
|
| 1527 |
+
ATOM 79 C C5 . A A 1 4 ? -50.062 15.805 -18.369 1.00 0.00 ? 29 A A C5 1
|
| 1528 |
+
ATOM 80 C C6 . A A 1 4 ? -50.841 14.704 -18.031 1.00 0.00 ? 29 A A C6 1
|
| 1529 |
+
ATOM 81 N N6 . A A 1 4 ? -50.366 13.722 -17.236 1.00 0.00 ? 29 A A N6 1
|
| 1530 |
+
ATOM 82 N N1 . A A 1 4 ? -52.090 14.691 -18.552 1.00 0.00 ? 29 A A N1 1
|
| 1531 |
+
ATOM 83 C C2 . A A 1 4 ? -52.545 15.696 -19.340 1.00 0.00 ? 29 A A C2 1
|
| 1532 |
+
ATOM 84 N N3 . A A 1 4 ? -51.795 16.784 -19.643 1.00 0.00 ? 29 A A N3 1
|
| 1533 |
+
ATOM 85 C C4 . A A 1 4 ? -50.542 16.839 -19.156 1.00 0.00 ? 29 A A C4 1
|
| 1534 |
+
ATOM 86 P P . G A 1 5 ? -51.400 22.655 -17.490 1.00 0.00 ? 30 G A P 1
|
| 1535 |
+
ATOM 87 O OP1 . G A 1 5 ? -51.751 24.101 -17.556 1.00 0.00 ? 30 G A OP1 1
|
| 1536 |
+
ATOM 88 O OP2 . G A 1 5 ? -50.911 22.325 -16.123 1.00 0.00 ? 30 G A OP2 1
|
| 1537 |
+
ATOM 89 O "O5'" . G A 1 5 ? -52.697 21.778 -17.811 1.00 0.00 ? 30 G A "O5'" 1
|
| 1538 |
+
ATOM 90 C "C5'" . G A 1 5 ? -53.441 21.956 -19.019 1.00 0.00 ? 30 G A "C5'" 1
|
| 1539 |
+
ATOM 91 C "C4'" . G A 1 5 ? -54.457 20.806 -19.129 1.00 0.00 ? 30 G A "C4'" 1
|
| 1540 |
+
ATOM 92 O "O4'" . G A 1 5 ? -53.782 19.559 -18.951 1.00 0.00 ? 30 G A "O4'" 1
|
| 1541 |
+
ATOM 93 C "C3'" . G A 1 5 ? -55.409 20.861 -17.926 1.00 0.00 ? 30 G A "C3'" 1
|
| 1542 |
+
ATOM 94 O "O3'" . G A 1 5 ? -56.472 21.788 -18.171 1.00 0.00 ? 30 G A "O3'" 1
|
| 1543 |
+
ATOM 95 C "C2'" . G A 1 5 ? -55.875 19.400 -17.796 1.00 0.00 ? 30 G A "C2'" 1
|
| 1544 |
+
ATOM 96 O "O2'" . G A 1 5 ? -57.035 19.187 -18.601 1.00 0.00 ? 30 G A "O2'" 1
|
| 1545 |
+
ATOM 97 C "C1'" . G A 1 5 ? -54.726 18.602 -18.451 1.00 0.00 ? 30 G A "C1'" 1
|
| 1546 |
+
ATOM 98 N N9 . G A 1 5 ? -54.074 17.749 -17.473 1.00 0.00 ? 30 G A N9 1
|
| 1547 |
+
ATOM 99 C C8 . G A 1 5 ? -52.873 17.918 -16.998 1.00 0.00 ? 30 G A C8 1
|
| 1548 |
+
ATOM 100 N N7 . G A 1 5 ? -52.609 16.997 -16.177 1.00 0.00 ? 30 G A N7 1
|
| 1549 |
+
ATOM 101 C C5 . G A 1 5 ? -53.735 16.111 -16.075 1.00 0.00 ? 30 G A C5 1
|
| 1550 |
+
ATOM 102 C C6 . G A 1 5 ? -54.102 14.895 -15.348 1.00 0.00 ? 30 G A C6 1
|
| 1551 |
+
ATOM 103 O O6 . G A 1 5 ? -53.322 14.386 -14.562 1.00 0.00 ? 30 G A O6 1
|
| 1552 |
+
ATOM 104 N N1 . G A 1 5 ? -55.342 14.414 -15.615 1.00 0.00 ? 30 G A N1 1
|
| 1553 |
+
ATOM 105 C C2 . G A 1 5 ? -56.197 15.009 -16.490 1.00 0.00 ? 30 G A C2 1
|
| 1554 |
+
ATOM 106 N N2 . G A 1 5 ? -57.353 14.436 -16.645 1.00 0.00 ? 30 G A N2 1
|
| 1555 |
+
ATOM 107 N N3 . G A 1 5 ? -55.880 16.069 -17.124 1.00 0.00 ? 30 G A N3 1
|
| 1556 |
+
ATOM 108 C C4 . G A 1 5 ? -54.588 16.675 -16.928 1.00 0.00 ? 30 G A C4 1
|
| 1557 |
+
ATOM 109 P P . A A 1 6 ? -57.441 22.260 -16.989 1.00 0.00 ? 31 A A P 1
|
| 1558 |
+
ATOM 110 O OP1 . A A 1 6 ? -58.457 23.211 -17.521 1.00 0.00 ? 31 A A OP1 1
|
| 1559 |
+
ATOM 111 O OP2 . A A 1 6 ? -56.631 22.935 -15.936 1.00 0.00 ? 31 A A OP2 1
|
| 1560 |
+
ATOM 112 O "O5'" . A A 1 6 ? -58.171 20.991 -16.353 1.00 0.00 ? 31 A A "O5'" 1
|
| 1561 |
+
ATOM 113 C "C5'" . A A 1 6 ? -59.127 20.232 -17.099 1.00 0.00 ? 31 A A "C5'" 1
|
| 1562 |
+
ATOM 114 C "C4'" . A A 1 6 ? -59.409 18.930 -16.332 1.00 0.00 ? 31 A A "C4'" 1
|
| 1563 |
+
ATOM 115 O "O4'" . A A 1 6 ? -58.190 18.213 -16.129 1.00 0.00 ? 31 A A "O4'" 1
|
| 1564 |
+
ATOM 116 C "C3'" . A A 1 6 ? -59.830 19.264 -14.896 1.00 0.00 ? 31 A A "C3'" 1
|
| 1565 |
+
ATOM 117 O "O3'" . A A 1 6 ? -61.219 19.592 -14.817 1.00 0.00 ? 31 A A "O3'" 1
|
| 1566 |
+
ATOM 118 C "C2'" . A A 1 6 ? -59.451 17.987 -14.121 1.00 0.00 ? 31 A A "C2'" 1
|
| 1567 |
+
ATOM 119 O "O2'" . A A 1 6 ? -60.571 17.100 -14.051 1.00 0.00 ? 31 A A "O2'" 1
|
| 1568 |
+
ATOM 120 C "C1'" . A A 1 6 ? -58.399 17.320 -15.029 1.00 0.00 ? 31 A A "C1'" 1
|
| 1569 |
+
ATOM 121 N N9 . A A 1 6 ? -57.167 17.119 -14.293 1.00 0.00 ? 31 A A N9 1
|
| 1570 |
+
ATOM 122 C C8 . A A 1 6 ? -56.143 17.931 -14.249 1.00 0.00 ? 31 A A C8 1
|
| 1571 |
+
ATOM 123 N N7 . A A 1 6 ? -55.220 17.454 -13.522 1.00 0.00 ? 31 A A N7 1
|
| 1572 |
+
ATOM 124 C C5 . A A 1 6 ? -55.592 16.263 -13.034 1.00 0.00 ? 31 A A C5 1
|
| 1573 |
+
ATOM 125 C C6 . A A 1 6 ? -54.950 15.352 -12.202 1.00 0.00 ? 31 A A C6 1
|
| 1574 |
+
ATOM 126 N N6 . A A 1 6 ? -53.719 15.596 -11.703 1.00 0.00 ? 31 A A N6 1
|
| 1575 |
+
ATOM 127 N N1 . A A 1 6 ? -55.639 14.222 -11.932 1.00 0.00 ? 31 A A N1 1
|
| 1576 |
+
ATOM 128 C C2 . A A 1 6 ? -56.878 14.003 -12.439 1.00 0.00 ? 31 A A C2 1
|
| 1577 |
+
ATOM 129 N N3 . A A 1 6 ? -57.508 14.895 -13.240 1.00 0.00 ? 31 A A N3 1
|
| 1578 |
+
ATOM 130 C C4 . A A 1 6 ? -56.861 16.035 -13.541 1.00 0.00 ? 31 A A C4 1
|
| 1579 |
+
ATOM 131 P P . C A 1 7 ? -61.768 20.361 -13.526 1.00 0.00 ? 32 C A P 1
|
| 1580 |
+
ATOM 132 O OP1 . C A 1 7 ? -63.252 20.471 -13.594 1.00 0.00 ? 32 C A OP1 1
|
| 1581 |
+
ATOM 133 O OP2 . C A 1 7 ? -61.169 21.723 -13.486 1.00 0.00 ? 32 C A OP2 1
|
| 1582 |
+
ATOM 134 O "O5'" . C A 1 7 ? -61.341 19.571 -12.204 1.00 0.00 ? 32 C A "O5'" 1
|
| 1583 |
+
ATOM 135 C "C5'" . C A 1 7 ? -61.874 18.286 -11.883 1.00 0.00 ? 32 C A "C5'" 1
|
| 1584 |
+
ATOM 136 C "C4'" . C A 1 7 ? -61.061 17.698 -10.715 1.00 0.00 ? 32 C A "C4'" 1
|
| 1585 |
+
ATOM 137 O "O4'" . C A 1 7 ? -59.684 17.597 -11.080 1.00 0.00 ? 32 C A "O4'" 1
|
| 1586 |
+
ATOM 138 C "C3'" . C A 1 7 ? -61.016 18.707 -9.560 1.00 0.00 ? 32 C A "C3'" 1
|
| 1587 |
+
ATOM 139 O "O3'" . C A 1 7 ? -62.207 18.650 -8.769 1.00 0.00 ? 32 C A "O3'" 1
|
| 1588 |
+
ATOM 140 C "C2'" . C A 1 7 ? -59.739 18.305 -8.802 1.00 0.00 ? 32 C A "C2'" 1
|
| 1589 |
+
ATOM 141 O "O2'" . C A 1 7 ? -60.052 17.370 -7.768 1.00 0.00 ? 32 C A "O2'" 1
|
| 1590 |
+
ATOM 142 C "C1'" . C A 1 7 ? -58.919 17.549 -9.869 1.00 0.00 ? 32 C A "C1'" 1
|
| 1591 |
+
ATOM 143 N N1 . C A 1 7 ? -57.603 18.147 -10.037 1.00 0.00 ? 32 C A N1 1
|
| 1592 |
+
ATOM 144 C C2 . C A 1 7 ? -56.660 17.991 -9.085 1.00 0.00 ? 32 C A C2 1
|
| 1593 |
+
ATOM 145 O O2 . C A 1 7 ? -56.860 17.359 -8.062 1.00 0.00 ? 32 C A O2 1
|
| 1594 |
+
ATOM 146 N N3 . C A 1 7 ? -55.359 18.595 -9.258 1.00 0.00 ? 32 C A N3 1
|
| 1595 |
+
ATOM 147 C C4 . C A 1 7 ? -55.075 19.277 -10.291 1.00 0.00 ? 32 C A C4 1
|
| 1596 |
+
ATOM 148 N N4 . C A 1 7 ? -53.913 19.829 -10.475 1.00 0.00 ? 32 C A N4 1
|
| 1597 |
+
ATOM 149 C C5 . C A 1 7 ? -56.128 19.437 -11.312 1.00 0.00 ? 32 C A C5 1
|
| 1598 |
+
ATOM 150 C C6 . C A 1 7 ? -57.331 18.874 -11.146 1.00 0.00 ? 32 C A C6 1
|
| 1599 |
+
ATOM 151 P P . U A 1 8 ? -62.475 19.774 -7.663 1.00 0.00 ? 33 U A P 1
|
| 1600 |
+
ATOM 152 O OP1 . U A 1 8 ? -63.826 19.584 -7.065 1.00 0.00 ? 33 U A OP1 1
|
| 1601 |
+
ATOM 153 O OP2 . U A 1 8 ? -62.403 21.115 -8.306 1.00 0.00 ? 33 U A OP2 1
|
| 1602 |
+
ATOM 154 O "O5'" . U A 1 8 ? -61.363 19.685 -6.520 1.00 0.00 ? 33 U A "O5'" 1
|
| 1603 |
+
ATOM 155 C "C5'" . U A 1 8 ? -61.322 18.630 -5.553 1.00 0.00 ? 33 U A "C5'" 1
|
| 1604 |
+
ATOM 156 C "C4'" . U A 1 8 ? -60.066 18.827 -4.686 1.00 0.00 ? 33 U A "C4'" 1
|
| 1605 |
+
ATOM 157 O "O4'" . U A 1 8 ? -58.902 18.578 -5.481 1.00 0.00 ? 33 U A "O4'" 1
|
| 1606 |
+
ATOM 158 C "C3'" . U A 1 8 ? -59.959 20.308 -4.301 1.00 0.00 ? 33 U A "C3'" 1
|
| 1607 |
+
ATOM 159 O "O3'" . U A 1 8 ? -60.740 20.584 -3.134 1.00 0.00 ? 33 U A "O3'" 1
|
| 1608 |
+
ATOM 160 C "C2'" . U A 1 8 ? -58.448 20.495 -4.095 1.00 0.00 ? 33 U A "C2'" 1
|
| 1609 |
+
ATOM 161 O "O2'" . U A 1 8 ? -58.108 20.165 -2.747 1.00 0.00 ? 33 U A "O2'" 1
|
| 1610 |
+
ATOM 162 C "C1'" . U A 1 8 ? -57.838 19.432 -5.036 1.00 0.00 ? 33 U A "C1'" 1
|
| 1611 |
+
ATOM 163 N N1 . U A 1 8 ? -57.235 20.090 -6.187 1.00 0.00 ? 33 U A N1 1
|
| 1612 |
+
ATOM 164 C C2 . U A 1 8 ? -55.943 20.486 -6.115 1.00 0.00 ? 33 U A C2 1
|
| 1613 |
+
ATOM 165 O O2 . U A 1 8 ? -55.255 20.247 -5.136 1.00 0.00 ? 33 U A O2 1
|
| 1614 |
+
ATOM 166 N N3 . U A 1 8 ? -55.414 21.162 -7.155 1.00 0.00 ? 33 U A N3 1
|
| 1615 |
+
ATOM 167 C C4 . U A 1 8 ? -56.126 21.445 -8.261 1.00 0.00 ? 33 U A C4 1
|
| 1616 |
+
ATOM 168 O O4 . U A 1 8 ? -55.659 22.074 -9.197 1.00 0.00 ? 33 U A O4 1
|
| 1617 |
+
ATOM 169 C C5 . U A 1 8 ? -57.515 20.970 -8.331 1.00 0.00 ? 33 U A C5 1
|
| 1618 |
+
ATOM 170 C C6 . U A 1 8 ? -58.004 20.314 -7.277 1.00 0.00 ? 33 U A C6 1
|
| 1619 |
+
ATOM 171 P P . G A 1 9 ? -61.281 22.060 -2.834 1.00 0.00 ? 34 G A P 1
|
| 1620 |
+
ATOM 172 O OP1 . G A 1 9 ? -62.059 22.054 -1.565 1.00 0.00 ? 34 G A OP1 1
|
| 1621 |
+
ATOM 173 O OP2 . G A 1 9 ? -62.167 22.479 -3.958 1.00 0.00 ? 34 G A OP2 1
|
| 1622 |
+
ATOM 174 O "O5'" . G A 1 9 ? -60.068 23.091 -2.708 1.00 0.00 ? 34 G A "O5'" 1
|
| 1623 |
+
ATOM 175 C "C5'" . G A 1 9 ? -60.297 24.505 -2.645 1.00 0.00 ? 34 G A "C5'" 1
|
| 1624 |
+
ATOM 176 C "C4'" . G A 1 9 ? -58.941 25.237 -2.651 1.00 0.00 ? 34 G A "C4'" 1
|
| 1625 |
+
ATOM 177 O "O4'" . G A 1 9 ? -58.327 25.114 -1.364 1.00 0.00 ? 34 G A "O4'" 1
|
| 1626 |
+
ATOM 178 C "C3'" . G A 1 9 ? -57.984 24.489 -3.584 1.00 0.00 ? 34 G A "C3'" 1
|
| 1627 |
+
ATOM 179 O "O3'" . G A 1 9 ? -58.155 24.883 -4.947 1.00 0.00 ? 34 G A "O3'" 1
|
| 1628 |
+
ATOM 180 C "C2'" . G A 1 9 ? -56.605 24.845 -3.018 1.00 0.00 ? 34 G A "C2'" 1
|
| 1629 |
+
ATOM 181 O "O2'" . G A 1 9 ? -56.142 26.067 -3.598 1.00 0.00 ? 34 G A "O2'" 1
|
| 1630 |
+
ATOM 182 C "C1'" . G A 1 9 ? -56.900 25.091 -1.526 1.00 0.00 ? 34 G A "C1'" 1
|
| 1631 |
+
ATOM 183 N N9 . G A 1 9 ? -56.387 23.967 -0.764 1.00 0.00 ? 34 G A N9 1
|
| 1632 |
+
ATOM 184 C C8 . G A 1 9 ? -57.035 22.869 -0.500 1.00 0.00 ? 34 G A C8 1
|
| 1633 |
+
ATOM 185 N N7 . G A 1 9 ? -56.312 22.108 0.200 1.00 0.00 ? 34 G A N7 1
|
| 1634 |
+
ATOM 186 C C5 . G A 1 9 ? -55.047 22.741 0.444 1.00 0.00 ? 34 G A C5 1
|
| 1635 |
+
ATOM 187 C C6 . G A 1 9 ? -53.795 22.444 1.143 1.00 0.00 ? 34 G A C6 1
|
| 1636 |
+
ATOM 188 O O6 . G A 1 9 ? -53.645 21.374 1.709 1.00 0.00 ? 34 G A O6 1
|
| 1637 |
+
ATOM 189 N N1 . G A 1 9 ? -52.858 23.425 1.100 1.00 0.00 ? 34 G A N1 1
|
| 1638 |
+
ATOM 190 C C2 . G A 1 9 ? -53.047 24.600 0.435 1.00 0.00 ? 34 G A C2 1
|
| 1639 |
+
ATOM 191 N N2 . G A 1 9 ? -52.069 25.453 0.476 1.00 0.00 ? 34 G A N2 1
|
| 1640 |
+
ATOM 192 N N3 . G A 1 9 ? -54.132 24.854 -0.190 1.00 0.00 ? 34 G A N3 1
|
| 1641 |
+
ATOM 193 C C4 . G A 1 9 ? -55.207 23.895 -0.200 1.00 0.00 ? 34 G A C4 1
|
| 1642 |
+
ATOM 194 P P . A A 1 10 ? -57.613 23.870 -6.057 1.00 0.00 ? 35 A A P 1
|
| 1643 |
+
ATOM 195 O OP1 . A A 1 10 ? -57.731 24.468 -7.416 1.00 0.00 ? 35 A A OP1 1
|
| 1644 |
+
ATOM 196 O OP2 . A A 1 10 ? -58.463 22.649 -5.978 1.00 0.00 ? 35 A A OP2 1
|
| 1645 |
+
ATOM 197 O "O5'" . A A 1 10 ? -56.088 23.507 -5.747 1.00 0.00 ? 35 A A "O5'" 1
|
| 1646 |
+
ATOM 198 C "C5'" . A A 1 10 ? -55.076 24.501 -5.931 1.00 0.00 ? 35 A A "C5'" 1
|
| 1647 |
+
ATOM 199 C "C4'" . A A 1 10 ? -53.805 24.096 -5.160 1.00 0.00 ? 35 A A "C4'" 1
|
| 1648 |
+
ATOM 200 O "O4'" . A A 1 10 ? -54.095 23.934 -3.769 1.00 0.00 ? 35 A A "O4'" 1
|
| 1649 |
+
ATOM 201 C "C3'" . A A 1 10 ? -53.282 22.722 -5.598 1.00 0.00 ? 35 A A "C3'" 1
|
| 1650 |
+
ATOM 202 O "O3'" . A A 1 10 ? -52.531 22.818 -6.813 1.00 0.00 ? 35 A A "O3'" 1
|
| 1651 |
+
ATOM 203 C "C2'" . A A 1 10 ? -52.403 22.361 -4.392 1.00 0.00 ? 35 A A "C2'" 1
|
| 1652 |
+
ATOM 204 O "O2'" . A A 1 10 ? -51.160 23.064 -4.483 1.00 0.00 ? 35 A A "O2'" 1
|
| 1653 |
+
ATOM 205 C "C1'" . A A 1 10 ? -53.177 22.979 -3.211 1.00 0.00 ? 35 A A "C1'" 1
|
| 1654 |
+
ATOM 206 N N9 . A A 1 10 ? -53.921 21.916 -2.564 1.00 0.00 ? 35 A A N9 1
|
| 1655 |
+
ATOM 207 C C8 . A A 1 10 ? -55.189 21.645 -2.728 1.00 0.00 ? 35 A A C8 1
|
| 1656 |
+
ATOM 208 N N7 . A A 1 10 ? -55.529 20.643 -2.031 1.00 0.00 ? 35 A A N7 1
|
| 1657 |
+
ATOM 209 C C5 . A A 1 10 ? -54.478 20.187 -1.340 1.00 0.00 ? 35 A A C5 1
|
| 1658 |
+
ATOM 210 C C6 . A A 1 10 ? -54.336 19.127 -0.450 1.00 0.00 ? 35 A A C6 1
|
| 1659 |
+
ATOM 211 N N6 . A A 1 10 ? -55.378 18.330 -0.131 1.00 0.00 ? 35 A A N6 1
|
| 1660 |
+
ATOM 212 N N1 . A A 1 10 ? -53.099 18.958 0.066 1.00 0.00 ? 35 A A N1 1
|
| 1661 |
+
ATOM 213 C C2 . A A 1 10 ? -52.071 19.780 -0.267 1.00 0.00 ? 35 A A C2 1
|
| 1662 |
+
ATOM 214 N N3 . A A 1 10 ? -52.212 20.813 -1.133 1.00 0.00 ? 35 A A N3 1
|
| 1663 |
+
ATOM 215 C C4 . A A 1 10 ? -53.425 21.018 -1.681 1.00 0.00 ? 35 A A C4 1
|
| 1664 |
+
ATOM 216 P P . A A 1 11 ? -51.887 21.530 -7.519 1.00 0.00 ? 36 A A P 1
|
| 1665 |
+
ATOM 217 O OP1 . A A 1 11 ? -51.147 21.951 -8.740 1.00 0.00 ? 36 A A OP1 1
|
| 1666 |
+
ATOM 218 O OP2 . A A 1 11 ? -52.961 20.571 -7.904 1.00 0.00 ? 36 A A OP2 1
|
| 1667 |
+
ATOM 219 O "O5'" . A A 1 11 ? -50.889 20.791 -6.513 1.00 0.00 ? 36 A A "O5'" 1
|
| 1668 |
+
ATOM 220 C "C5'" . A A 1 11 ? -49.647 21.360 -6.092 1.00 0.00 ? 36 A A "C5'" 1
|
| 1669 |
+
ATOM 221 C "C4'" . A A 1 11 ? -49.126 20.540 -4.900 1.00 0.00 ? 36 A A "C4'" 1
|
| 1670 |
+
ATOM 222 O "O4'" . A A 1 11 ? -50.157 20.444 -3.912 1.00 0.00 ? 36 A A "O4'" 1
|
| 1671 |
+
ATOM 223 C "C3'" . A A 1 11 ? -48.908 19.082 -5.327 1.00 0.00 ? 36 A A "C3'" 1
|
| 1672 |
+
ATOM 224 O "O3'" . A A 1 11 ? -47.625 18.906 -5.935 1.00 0.00 ? 36 A A "O3'" 1
|
| 1673 |
+
ATOM 225 C "C2'" . A A 1 11 ? -49.034 18.334 -3.992 1.00 0.00 ? 36 A A "C2'" 1
|
| 1674 |
+
ATOM 226 O "O2'" . A A 1 11 ? -47.763 18.253 -3.342 1.00 0.00 ? 36 A A "O2'" 1
|
| 1675 |
+
ATOM 227 C "C1'" . A A 1 11 ? -49.958 19.240 -3.157 1.00 0.00 ? 36 A A "C1'" 1
|
| 1676 |
+
ATOM 228 N N9 . A A 1 11 ? -51.226 18.554 -2.998 1.00 0.00 ? 36 A A N9 1
|
| 1677 |
+
ATOM 229 C C8 . A A 1 11 ? -52.369 18.884 -3.541 1.00 0.00 ? 36 A A C8 1
|
| 1678 |
+
ATOM 230 N N7 . A A 1 11 ? -53.281 18.070 -3.203 1.00 0.00 ? 36 A A N7 1
|
| 1679 |
+
ATOM 231 C C5 . A A 1 11 ? -52.777 17.126 -2.399 1.00 0.00 ? 36 A A C5 1
|
| 1680 |
+
ATOM 232 C C6 . A A 1 11 ? -53.351 16.025 -1.772 1.00 0.00 ? 36 A A C6 1
|
| 1681 |
+
ATOM 233 N N6 . A A 1 11 ? -54.667 15.747 -1.887 1.00 0.00 ? 36 A A N6 1
|
| 1682 |
+
ATOM 234 N N1 . A A 1 11 ? -52.503 15.260 -1.048 1.00 0.00 ? 36 A A N1 1
|
| 1683 |
+
ATOM 235 C C2 . A A 1 11 ? -51.189 15.574 -0.916 1.00 0.00 ? 36 A A C2 1
|
| 1684 |
+
ATOM 236 N N3 . A A 1 11 ? -50.636 16.658 -1.508 1.00 0.00 ? 36 A A N3 1
|
| 1685 |
+
ATOM 237 C C4 . A A 1 11 ? -51.433 17.436 -2.263 1.00 0.00 ? 36 A A C4 1
|
| 1686 |
+
ATOM 238 P P . G A 1 12 ? -47.217 17.555 -6.692 1.00 0.00 ? 37 G A P 1
|
| 1687 |
+
ATOM 239 O OP1 . G A 1 12 ? -45.798 17.662 -7.132 1.00 0.00 ? 37 G A OP1 1
|
| 1688 |
+
ATOM 240 O OP2 . G A 1 12 ? -48.089 17.383 -7.886 1.00 0.00 ? 37 G A OP2 1
|
| 1689 |
+
ATOM 241 O "O5'" . G A 1 12 ? -47.373 16.277 -5.742 1.00 0.00 ? 37 G A "O5'" 1
|
| 1690 |
+
ATOM 242 C "C5'" . G A 1 12 ? -48.649 15.832 -5.281 1.00 0.00 ? 37 G A "C5'" 1
|
| 1691 |
+
ATOM 243 C "C4'" . G A 1 12 ? -48.474 14.469 -4.591 1.00 0.00 ? 37 G A "C4'" 1
|
| 1692 |
+
ATOM 244 O "O4'" . G A 1 12 ? -49.235 14.383 -3.378 1.00 0.00 ? 37 G A "O4'" 1
|
| 1693 |
+
ATOM 245 C "C3'" . G A 1 12 ? -48.991 13.372 -5.535 1.00 0.00 ? 37 G A "C3'" 1
|
| 1694 |
+
ATOM 246 O "O3'" . G A 1 12 ? -47.914 12.743 -6.234 1.00 0.00 ? 37 G A "O3'" 1
|
| 1695 |
+
ATOM 247 C "C2'" . G A 1 12 ? -49.740 12.414 -4.599 1.00 0.00 ? 37 G A "C2'" 1
|
| 1696 |
+
ATOM 248 O "O2'" . G A 1 12 ? -48.817 11.513 -3.981 1.00 0.00 ? 37 G A "O2'" 1
|
| 1697 |
+
ATOM 249 C "C1'" . G A 1 12 ? -50.261 13.389 -3.528 1.00 0.00 ? 37 G A "C1'" 1
|
| 1698 |
+
ATOM 250 N N9 . G A 1 12 ? -51.506 13.963 -4.000 1.00 0.00 ? 37 G A N9 1
|
| 1699 |
+
ATOM 251 C C8 . G A 1 12 ? -51.653 15.099 -4.620 1.00 0.00 ? 37 G A C8 1
|
| 1700 |
+
ATOM 252 N N7 . G A 1 12 ? -52.874 15.285 -4.875 1.00 0.00 ? 37 G A N7 1
|
| 1701 |
+
ATOM 253 C C5 . G A 1 12 ? -53.643 14.177 -4.381 1.00 0.00 ? 37 G A C5 1
|
| 1702 |
+
ATOM 254 C C6 . G A 1 12 ? -55.043 13.747 -4.331 1.00 0.00 ? 37 G A C6 1
|
| 1703 |
+
ATOM 255 O O6 . G A 1 12 ? -55.927 14.432 -4.817 1.00 0.00 ? 37 G A O6 1
|
| 1704 |
+
ATOM 256 N N1 . G A 1 12 ? -55.261 12.555 -3.717 1.00 0.00 ? 37 G A N1 1
|
| 1705 |
+
ATOM 257 C C2 . G A 1 12 ? -54.261 11.800 -3.181 1.00 0.00 ? 37 G A C2 1
|
| 1706 |
+
ATOM 258 N N2 . G A 1 12 ? -54.618 10.683 -2.622 1.00 0.00 ? 37 G A N2 1
|
| 1707 |
+
ATOM 259 N N3 . G A 1 12 ? -53.044 12.171 -3.225 1.00 0.00 ? 37 G A N3 1
|
| 1708 |
+
ATOM 260 C C4 . G A 1 12 ? -52.687 13.417 -3.850 1.00 0.00 ? 37 G A C4 1
|
| 1709 |
+
ATOM 261 P P . A A 1 13 ? -48.224 11.793 -7.484 1.00 0.00 ? 38 A A P 1
|
| 1710 |
+
ATOM 262 O OP1 . A A 1 13 ? -46.956 11.197 -7.992 1.00 0.00 ? 38 A A OP1 1
|
| 1711 |
+
ATOM 263 O OP2 . A A 1 13 ? -48.856 12.606 -8.561 1.00 0.00 ? 38 A A OP2 1
|
| 1712 |
+
ATOM 264 O "O5'" . A A 1 13 ? -49.235 10.634 -7.053 1.00 0.00 ? 38 A A "O5'" 1
|
| 1713 |
+
ATOM 265 C "C5'" . A A 1 13 ? -48.863 9.574 -6.169 1.00 0.00 ? 38 A A "C5'" 1
|
| 1714 |
+
ATOM 266 C "C4'" . A A 1 13 ? -50.135 8.784 -5.810 1.00 0.00 ? 38 A A "C4'" 1
|
| 1715 |
+
ATOM 267 O "O4'" . A A 1 13 ? -51.041 9.658 -5.123 1.00 0.00 ? 38 A A "O4'" 1
|
| 1716 |
+
ATOM 268 C "C3'" . A A 1 13 ? -50.857 8.363 -7.097 1.00 0.00 ? 38 A A "C3'" 1
|
| 1717 |
+
ATOM 269 O "O3'" . A A 1 13 ? -50.385 7.094 -7.558 1.00 0.00 ? 38 A A "O3'" 1
|
| 1718 |
+
ATOM 270 C "C2'" . A A 1 13 ? -52.325 8.313 -6.654 1.00 0.00 ? 38 A A "C2'" 1
|
| 1719 |
+
ATOM 271 O "O2'" . A A 1 13 ? -52.612 7.046 -6.053 1.00 0.00 ? 38 A A "O2'" 1
|
| 1720 |
+
ATOM 272 C "C1'" . A A 1 13 ? -52.384 9.390 -5.554 1.00 0.00 ? 38 A A "C1'" 1
|
| 1721 |
+
ATOM 273 N N9 . A A 1 13 ? -52.954 10.592 -6.132 1.00 0.00 ? 38 A A N9 1
|
| 1722 |
+
ATOM 274 C C8 . A A 1 13 ? -52.320 11.700 -6.415 1.00 0.00 ? 38 A A C8 1
|
| 1723 |
+
ATOM 275 N N7 . A A 1 13 ? -53.111 12.559 -6.911 1.00 0.00 ? 38 A A N7 1
|
| 1724 |
+
ATOM 276 C C5 . A A 1 13 ? -54.349 12.052 -6.986 1.00 0.00 ? 38 A A C5 1
|
| 1725 |
+
ATOM 277 C C6 . A A 1 13 ? -55.549 12.578 -7.453 1.00 0.00 ? 38 A A C6 1
|
| 1726 |
+
ATOM 278 N N6 . A A 1 13 ? -55.630 13.832 -7.947 1.00 0.00 ? 38 A A N6 1
|
| 1727 |
+
ATOM 279 N N1 . A A 1 13 ? -56.617 11.750 -7.381 1.00 0.00 ? 38 A A N1 1
|
| 1728 |
+
ATOM 280 C C2 . A A 1 13 ? -56.511 10.494 -6.879 1.00 0.00 ? 38 A A C2 1
|
| 1729 |
+
ATOM 281 N N3 . A A 1 13 ? -55.345 9.986 -6.415 1.00 0.00 ? 38 A A N3 1
|
| 1730 |
+
ATOM 282 C C4 . A A 1 13 ? -54.252 10.768 -6.474 1.00 0.00 ? 38 A A C4 1
|
| 1731 |
+
HETATM 283 N N1 . PSU A 1 14 ? -53.384 10.983 -9.651 1.00 0.00 ? 39 PSU A N1 1
|
| 1732 |
+
HETATM 284 C C2 . PSU A 1 14 ? -54.091 11.986 -10.215 1.00 0.00 ? 39 PSU A C2 1
|
| 1733 |
+
HETATM 285 N N3 . PSU A 1 14 ? -55.375 11.768 -10.568 1.00 0.00 ? 39 PSU A N3 1
|
| 1734 |
+
HETATM 286 C C4 . PSU A 1 14 ? -55.971 10.576 -10.367 1.00 0.00 ? 39 PSU A C4 1
|
| 1735 |
+
HETATM 287 C C5 . PSU A 1 14 ? -55.189 9.508 -9.725 1.00 0.00 ? 39 PSU A C5 1
|
| 1736 |
+
HETATM 288 C C6 . PSU A 1 14 ? -53.916 9.769 -9.406 1.00 0.00 ? 39 PSU A C6 1
|
| 1737 |
+
HETATM 289 O O2 . PSU A 1 14 ? -53.572 13.074 -10.399 1.00 0.00 ? 39 PSU A O2 1
|
| 1738 |
+
HETATM 290 O O4 . PSU A 1 14 ? -57.126 10.363 -10.699 1.00 0.00 ? 39 PSU A O4 1
|
| 1739 |
+
HETATM 291 C "C1'" . PSU A 1 14 ? -55.795 8.163 -9.435 1.00 0.00 ? 39 PSU A "C1'" 1
|
| 1740 |
+
HETATM 292 C "C2'" . PSU A 1 14 ? -55.856 7.335 -10.731 1.00 0.00 ? 39 PSU A "C2'" 1
|
| 1741 |
+
HETATM 293 O "O2'" . PSU A 1 14 ? -57.147 6.723 -10.797 1.00 0.00 ? 39 PSU A "O2'" 1
|
| 1742 |
+
HETATM 294 C "C3'" . PSU A 1 14 ? -54.778 6.263 -10.510 1.00 0.00 ? 39 PSU A "C3'" 1
|
| 1743 |
+
HETATM 295 C "C4'" . PSU A 1 14 ? -54.714 6.142 -8.979 1.00 0.00 ? 39 PSU A "C4'" 1
|
| 1744 |
+
HETATM 296 O "O3'" . PSU A 1 14 ? -55.093 5.003 -11.110 1.00 0.00 ? 39 PSU A "O3'" 1
|
| 1745 |
+
HETATM 297 O "O4'" . PSU A 1 14 ? -54.955 7.470 -8.501 1.00 0.00 ? 39 PSU A "O4'" 1
|
| 1746 |
+
HETATM 298 C "C5'" . PSU A 1 14 ? -53.290 5.726 -8.568 1.00 0.00 ? 39 PSU A "C5'" 1
|
| 1747 |
+
HETATM 299 O "O5'" . PSU A 1 14 ? -52.373 6.617 -9.210 1.00 0.00 ? 39 PSU A "O5'" 1
|
| 1748 |
+
HETATM 300 P P . PSU A 1 14 ? -50.787 6.569 -9.014 1.00 0.00 ? 39 PSU A P 1
|
| 1749 |
+
HETATM 301 O OP1 . PSU A 1 14 ? -50.299 5.175 -9.204 1.00 0.00 ? 39 PSU A OP1 1
|
| 1750 |
+
HETATM 302 O OP2 . PSU A 1 14 ? -50.156 7.455 -10.034 1.00 0.00 ? 39 PSU A OP2 1
|
| 1751 |
+
ATOM 303 P P . C A 1 15 ? -54.999 4.816 -12.696 1.00 0.00 ? 40 C A P 1
|
| 1752 |
+
ATOM 304 O OP1 . C A 1 15 ? -55.278 3.397 -13.053 1.00 0.00 ? 40 C A OP1 1
|
| 1753 |
+
ATOM 305 O OP2 . C A 1 15 ? -53.623 5.175 -13.144 1.00 0.00 ? 40 C A OP2 1
|
| 1754 |
+
ATOM 306 O "O5'" . C A 1 15 ? -56.051 5.771 -13.428 1.00 0.00 ? 40 C A "O5'" 1
|
| 1755 |
+
ATOM 307 C "C5'" . C A 1 15 ? -57.462 5.532 -13.400 1.00 0.00 ? 40 C A "C5'" 1
|
| 1756 |
+
ATOM 308 C "C4'" . C A 1 15 ? -58.162 6.707 -14.106 1.00 0.00 ? 40 C A "C4'" 1
|
| 1757 |
+
ATOM 309 O "O4'" . C A 1 15 ? -57.895 7.911 -13.379 1.00 0.00 ? 40 C A "O4'" 1
|
| 1758 |
+
ATOM 310 C "C3'" . C A 1 15 ? -57.512 6.940 -15.475 1.00 0.00 ? 40 C A "C3'" 1
|
| 1759 |
+
ATOM 311 O "O3'" . C A 1 15 ? -58.086 6.083 -16.467 1.00 0.00 ? 40 C A "O3'" 1
|
| 1760 |
+
ATOM 312 C "C2'" . C A 1 15 ? -57.779 8.433 -15.726 1.00 0.00 ? 40 C A "C2'" 1
|
| 1761 |
+
ATOM 313 O "O2'" . C A 1 15 ? -59.071 8.599 -16.316 1.00 0.00 ? 40 C A "O2'" 1
|
| 1762 |
+
ATOM 314 C "C1'" . C A 1 15 ? -57.853 9.014 -14.301 1.00 0.00 ? 40 C A "C1'" 1
|
| 1763 |
+
ATOM 315 N N1 . C A 1 15 ? -56.675 9.823 -14.027 1.00 0.00 ? 40 C A N1 1
|
| 1764 |
+
ATOM 316 C C2 . C A 1 15 ? -56.641 11.122 -14.389 1.00 0.00 ? 40 C A C2 1
|
| 1765 |
+
ATOM 317 O O2 . C A 1 15 ? -57.571 11.669 -14.957 1.00 0.00 ? 40 C A O2 1
|
| 1766 |
+
ATOM 318 N N3 . C A 1 15 ? -55.468 11.916 -14.105 1.00 0.00 ? 40 C A N3 1
|
| 1767 |
+
ATOM 319 C C4 . C A 1 15 ? -54.457 11.416 -13.520 1.00 0.00 ? 40 C A C4 1
|
| 1768 |
+
ATOM 320 N N4 . C A 1 15 ? -53.391 12.103 -13.236 1.00 0.00 ? 40 C A N4 1
|
| 1769 |
+
ATOM 321 C C5 . C A 1 15 ? -54.512 9.989 -13.154 1.00 0.00 ? 40 C A C5 1
|
| 1770 |
+
ATOM 322 C C6 . C A 1 15 ? -55.605 9.263 -13.421 1.00 0.00 ? 40 C A C6 1
|
| 1771 |
+
ATOM 323 P P . U A 1 16 ? -57.440 5.983 -17.926 1.00 0.00 ? 41 U A P 1
|
| 1772 |
+
ATOM 324 O OP1 . U A 1 16 ? -58.203 5.005 -18.751 1.00 0.00 ? 41 U A OP1 1
|
| 1773 |
+
ATOM 325 O OP2 . U A 1 16 ? -56.024 5.528 -17.802 1.00 0.00 ? 41 U A OP2 1
|
| 1774 |
+
ATOM 326 O "O5'" . U A 1 16 ? -57.465 7.416 -18.633 1.00 0.00 ? 41 U A "O5'" 1
|
| 1775 |
+
ATOM 327 C "C5'" . U A 1 16 ? -58.689 8.038 -19.036 1.00 0.00 ? 41 U A "C5'" 1
|
| 1776 |
+
ATOM 328 C "C4'" . U A 1 16 ? -58.364 9.454 -19.542 1.00 0.00 ? 41 U A "C4'" 1
|
| 1777 |
+
ATOM 329 O "O4'" . U A 1 16 ? -57.731 10.203 -18.503 1.00 0.00 ? 41 U A "O4'" 1
|
| 1778 |
+
ATOM 330 C "C3'" . U A 1 16 ? -57.268 9.372 -20.614 1.00 0.00 ? 41 U A "C3'" 1
|
| 1779 |
+
ATOM 331 O "O3'" . U A 1 16 ? -57.828 9.047 -21.890 1.00 0.00 ? 41 U A "O3'" 1
|
| 1780 |
+
ATOM 332 C "C2'" . U A 1 16 ? -56.610 10.761 -20.543 1.00 0.00 ? 41 U A "C2'" 1
|
| 1781 |
+
ATOM 333 O "O2'" . U A 1 16 ? -57.253 11.650 -21.458 1.00 0.00 ? 41 U A "O2'" 1
|
| 1782 |
+
ATOM 334 C "C1'" . U A 1 16 ? -56.958 11.243 -19.120 1.00 0.00 ? 41 U A "C1'" 1
|
| 1783 |
+
ATOM 335 N N1 . U A 1 16 ? -55.759 11.526 -18.345 1.00 0.00 ? 41 U A N1 1
|
| 1784 |
+
ATOM 336 C C2 . U A 1 16 ? -55.132 12.714 -18.515 1.00 0.00 ? 41 U A C2 1
|
| 1785 |
+
ATOM 337 O O2 . U A 1 16 ? -55.551 13.550 -19.300 1.00 0.00 ? 41 U A O2 1
|
| 1786 |
+
ATOM 338 N N3 . U A 1 16 ? -54.018 12.969 -17.796 1.00 0.00 ? 41 U A N3 1
|
| 1787 |
+
ATOM 339 C C4 . U A 1 16 ? -53.514 12.077 -16.923 1.00 0.00 ? 41 U A C4 1
|
| 1788 |
+
ATOM 340 O O4 . U A 1 16 ? -52.513 12.296 -16.262 1.00 0.00 ? 41 U A O4 1
|
| 1789 |
+
ATOM 341 C C5 . U A 1 16 ? -54.208 10.791 -16.767 1.00 0.00 ? 41 U A C5 1
|
| 1790 |
+
ATOM 342 C C6 . U A 1 16 ? -55.306 10.579 -17.495 1.00 0.00 ? 41 U A C6 1
|
| 1791 |
+
ATOM 343 P P . G A 1 17 ? -56.884 8.676 -23.128 1.00 0.00 ? 42 G A P 1
|
| 1792 |
+
ATOM 344 O OP1 . G A 1 17 ? -57.717 8.204 -24.268 1.00 0.00 ? 42 G A OP1 1
|
| 1793 |
+
ATOM 345 O OP2 . G A 1 17 ? -55.946 7.593 -22.719 1.00 0.00 ? 42 G A OP2 1
|
| 1794 |
+
ATOM 346 O "O5'" . G A 1 17 ? -56.045 9.960 -23.574 1.00 0.00 ? 42 G A "O5'" 1
|
| 1795 |
+
ATOM 347 C "C5'" . G A 1 17 ? -56.682 11.068 -24.213 1.00 0.00 ? 42 G A "C5'" 1
|
| 1796 |
+
ATOM 348 C "C4'" . G A 1 17 ? -55.661 12.211 -24.351 1.00 0.00 ? 42 G A "C4'" 1
|
| 1797 |
+
ATOM 349 O "O4'" . G A 1 17 ? -55.240 12.636 -23.052 1.00 0.00 ? 42 G A "O4'" 1
|
| 1798 |
+
ATOM 350 C "C3'" . G A 1 17 ? -54.367 11.690 -24.987 1.00 0.00 ? 42 G A "C3'" 1
|
| 1799 |
+
ATOM 351 O "O3'" . G A 1 17 ? -54.485 11.594 -26.410 1.00 0.00 ? 42 G A "O3'" 1
|
| 1800 |
+
ATOM 352 C "C2'" . G A 1 17 ? -53.343 12.734 -24.518 1.00 0.00 ? 42 G A "C2'" 1
|
| 1801 |
+
ATOM 353 O "O2'" . G A 1 17 ? -53.386 13.872 -25.382 1.00 0.00 ? 42 G A "O2'" 1
|
| 1802 |
+
ATOM 354 C "C1'" . G A 1 17 ? -53.910 13.169 -23.151 1.00 0.00 ? 42 G A "C1'" 1
|
| 1803 |
+
ATOM 355 N N9 . G A 1 17 ? -53.088 12.587 -22.106 1.00 0.00 ? 42 G A N9 1
|
| 1804 |
+
ATOM 356 C C8 . G A 1 17 ? -53.371 11.524 -21.409 1.00 0.00 ? 42 G A C8 1
|
| 1805 |
+
ATOM 357 N N7 . G A 1 17 ? -52.438 11.294 -20.592 1.00 0.00 ? 42 G A N7 1
|
| 1806 |
+
ATOM 358 C C5 . G A 1 17 ? -51.415 12.292 -20.739 1.00 0.00 ? 42 G A C5 1
|
| 1807 |
+
ATOM 359 C C6 . G A 1 17 ? -50.114 12.619 -20.152 1.00 0.00 ? 42 G A C6 1
|
| 1808 |
+
ATOM 360 O O6 . G A 1 17 ? -49.630 11.917 -19.282 1.00 0.00 ? 42 G A O6 1
|
| 1809 |
+
ATOM 361 N N1 . G A 1 17 ? -49.520 13.733 -20.652 1.00 0.00 ? 42 G A N1 1
|
| 1810 |
+
ATOM 362 C C2 . G A 1 17 ? -50.073 14.497 -21.633 1.00 0.00 ? 42 G A C2 1
|
| 1811 |
+
ATOM 363 N N2 . G A 1 17 ? -49.393 15.538 -22.008 1.00 0.00 ? 42 G A N2 1
|
| 1812 |
+
ATOM 364 N N3 . G A 1 17 ? -51.200 14.207 -22.157 1.00 0.00 ? 42 G A N3 1
|
| 1813 |
+
ATOM 365 C C4 . G A 1 17 ? -51.932 13.050 -21.704 1.00 0.00 ? 42 G A C4 1
|
| 1814 |
+
#
|
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