data_1CBS # _coordinate_server_result.query_type water _coordinate_server_result.datetime_utc '2024-04-20 05:33:34' _coordinate_server_result.is_empty no _coordinate_server_result.has_error no _coordinate_server_result.api_version 1.4.9 _coordinate_server_result.core_version 3.2.3 # loop_ _coordinate_server_query_params.name _coordinate_server_query_params.value atomSitesOnly 0 modelId . format mmCIF encoding cif lowPrecisionCoords false # _entry.id 1CBS # _entity.id 3 _entity.type water _entity.src_method nat _entity.pdbx_description water _entity.formula_weight ? _entity.pdbx_number_of_molecules ? _entity.details . _entity.pdbx_mutation ? _entity.pdbx_fragment ? _entity.pdbx_ec ? # _exptl.entry_id 1CBS _exptl.method 'X-ray diffraction' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1 _pdbx_struct_oper_list.matrix[1][2] 0 _pdbx_struct_oper_list.matrix[1][3] 0 _pdbx_struct_oper_list.vector[1] 0 _pdbx_struct_oper_list.matrix[2][1] 0 _pdbx_struct_oper_list.matrix[2][2] 1 _pdbx_struct_oper_list.matrix[2][3] 0 _pdbx_struct_oper_list.vector[2] 0 _pdbx_struct_oper_list.matrix[3][1] 0 _pdbx_struct_oper_list.matrix[3][2] 0 _pdbx_struct_oper_list.matrix[3][3] 1 _pdbx_struct_oper_list.vector[3] 0 # _cell.entry_id 1CBS _cell.length_a 45.65 _cell.length_b 47.56 _cell.length_c 77.61 _cell.angle_alpha 90 _cell.angle_beta 90 _cell.angle_gamma 90 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1CBS _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall . # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PRO n 1 2 ASN n 1 3 PHE n 1 4 SER n 1 5 GLY n 1 6 ASN n 1 7 TRP n 1 8 LYS n 1 9 ILE n 1 10 ILE n 1 11 ARG n 1 12 SER n 1 13 GLU n 1 14 ASN n 1 15 PHE n 1 16 GLU n 1 17 GLU n 1 18 LEU n 1 19 LEU n 1 20 LYS n 1 21 VAL n 1 22 LEU n 1 23 GLY n 1 24 VAL n 1 25 ASN n 1 26 VAL n 1 27 MET n 1 28 LEU n 1 29 ARG n 1 30 LYS n 1 31 ILE n 1 32 ALA n 1 33 VAL n 1 34 ALA n 1 35 ALA n 1 36 ALA n 1 37 SER n 1 38 LYS n 1 39 PRO n 1 40 ALA n 1 41 VAL n 1 42 GLU n 1 43 ILE n 1 44 LYS n 1 45 GLN n 1 46 GLU n 1 47 GLY n 1 48 ASP n 1 49 THR n 1 50 PHE n 1 51 TYR n 1 52 ILE n 1 53 LYS n 1 54 THR n 1 55 SER n 1 56 THR n 1 57 THR n 1 58 VAL n 1 59 ARG n 1 60 THR n 1 61 THR n 1 62 GLU n 1 63 ILE n 1 64 ASN n 1 65 PHE n 1 66 LYS n 1 67 VAL n 1 68 GLY n 1 69 GLU n 1 70 GLU n 1 71 PHE n 1 72 GLU n 1 73 GLU n 1 74 GLN n 1 75 THR n 1 76 VAL n 1 77 ASP n 1 78 GLY n 1 79 ARG n 1 80 PRO n 1 81 CYS n 1 82 LYS n 1 83 SER n 1 84 LEU n 1 85 VAL n 1 86 LYS n 1 87 TRP n 1 88 GLU n 1 89 SER n 1 90 GLU n 1 91 ASN n 1 92 LYS n 1 93 MET n 1 94 VAL n 1 95 CYS n 1 96 GLU n 1 97 GLN n 1 98 LYS n 1 99 LEU n 1 100 LEU n 1 101 LYS n 1 102 GLY n 1 103 GLU n 1 104 GLY n 1 105 PRO n 1 106 LYS n 1 107 THR n 1 108 SER n 1 109 TRP n 1 110 THR n 1 111 ARG n 1 112 GLU n 1 113 LEU n 1 114 THR n 1 115 ASN n 1 116 ASP n 1 117 GLY n 1 118 GLU n 1 119 LEU n 1 120 ILE n 1 121 LEU n 1 122 THR n 1 123 MET n 1 124 THR n 1 125 ALA n 1 126 ASP n 1 127 ASP n 1 128 VAL n 1 129 VAL n 1 130 CYS n 1 131 THR n 1 132 ARG n 1 133 VAL n 1 134 TYR n 1 135 VAL n 1 136 ARG n 1 137 GLU n # _struct_asym.id C _struct_asym.pdbx_blank_PDB_chainid_flag N _struct_asym.pdbx_modified Y _struct_asym.entity_id 3 _struct_asym.details 'Might not contain all original atoms depending on the query used' # loop_ _chem_comp_bond.comp_id _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order HOH N 1 N O H1 SING HOH N 2 N O H2 SING # _atom_sites.entry_id 1CBS _atom_sites.fract_transf_matrix[1][1] 0.021906 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0 _atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.021026 _atom_sites.fract_transf_matrix[2][3] 0 _atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.012885 _atom_sites.fract_transf_vector[3] 0 # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_model_num HETATM 1114 O O . HOH C 3 . . 21.817 19.604 31.169 1 17.43 ? O HOH A 300 1 HETATM 1115 O O . HOH C 3 . . 7.617 26.892 37.107 1 12.66 ? O HOH A 301 1 HETATM 1116 O O . HOH C 3 . . 22.885 27.835 25.056 1 18.86 ? O HOH A 302 1 HETATM 1117 O O . HOH C 3 . . 30.685 27.402 22.818 1 14.12 ? O HOH A 303 1 HETATM 1118 O O . HOH C 3 . . 29.93 20.839 40.398 1 16.48 ? O HOH A 304 1 HETATM 1119 O O . HOH C 3 . . 31.492 21.096 28.452 1 16.65 ? O HOH A 305 1 HETATM 1120 O O . HOH C 3 . . 19.459 26.601 30.32 1 9.81 ? O HOH A 306 1 HETATM 1121 O O . HOH C 3 . . 19.116 26.759 22.93 1 22.33 ? O HOH A 307 1 HETATM 1122 O O . HOH C 3 . . 16.356 22.299 28.453 1 35.46 ? O HOH A 308 1 HETATM 1123 O O . HOH C 3 . . 21.823 21.939 29.734 1 13.95 ? O HOH A 309 1 HETATM 1124 O O . HOH C 3 . . 13.206 22.267 22.102 1 20.07 ? O HOH A 310 1 HETATM 1125 O O . HOH C 3 . . 30.3 22.803 12.74 1 24.7 ? O HOH A 311 1 HETATM 1126 O O . HOH C 3 . . 7.344 23.059 35.6 1 8.82 ? O HOH A 312 1 HETATM 1127 O O . HOH C 3 . . 6.876 22.668 20.375 1 29.74 ? O HOH A 313 1 HETATM 1128 O O . HOH C 3 . . 17.917 24.8 29.159 1 23.69 ? O HOH A 314 1 HETATM 1129 O O . HOH C 3 . . 37.101 16.714 38.714 1 19.84 ? O HOH A 315 1 HETATM 1130 O O . HOH C 3 . . 28.721 7.425 30.043 1 14.94 ? O HOH A 316 1 HETATM 1131 O O . HOH C 3 . . 13.212 14.45 25.193 1 18.03 ? O HOH A 317 1 HETATM 1132 O O . HOH C 3 . . 6.094 9.777 39.151 1 13.98 ? O HOH A 318 1 HETATM 1133 O O . HOH C 3 . . 19.296 10.379 13.144 1 27.2 ? O HOH A 319 1 HETATM 1134 O O . HOH C 3 . . 25.337 10.931 16.577 1 18.41 ? O HOH A 320 1 HETATM 1135 O O . HOH C 3 . . 25.244 34.269 18.193 1 9.65 ? O HOH A 321 1 HETATM 1136 O O . HOH C 3 . . 23.567 10.727 14.429 1 11.13 ? O HOH A 322 1 HETATM 1137 O O . HOH C 3 . . 17.151 12.178 30.238 1 11.53 ? O HOH A 323 1 HETATM 1138 O O . HOH C 3 . . 27.768 11.967 42.077 1 23.33 ? O HOH A 324 1 HETATM 1139 O O . HOH C 3 . . 30.27 12.554 21.386 1 25.05 ? O HOH A 325 1 HETATM 1140 O O . HOH C 3 . . 25.662 15.488 18.515 1 10.8 ? O HOH A 326 1 HETATM 1141 O O . HOH C 3 . . 4.514 21.426 18.685 1 45.94 ? O HOH A 327 1 HETATM 1142 O O . HOH C 3 . . 8.081 23.201 17.69 1 30.16 ? O HOH A 328 1 HETATM 1143 O O . HOH C 3 . . 13.242 29.389 14.924 1 39.93 ? O HOH A 329 1 HETATM 1144 O O . HOH C 3 . . 10.514 18.772 10.176 1 33.65 ? O HOH A 330 1 HETATM 1145 O O . HOH C 3 . . 10.555 13.666 26.313 1 32.55 ? O HOH A 331 1 HETATM 1146 O O . HOH C 3 . . 5.189 16.418 31.375 1 35.78 ? O HOH A 332 1 HETATM 1147 O O . HOH C 3 . . 0.738 25.633 36.349 1 29 ? O HOH A 333 1 HETATM 1148 O O . HOH C 3 . . 2.976 28.966 37.321 1 40.14 ? O HOH A 334 1 HETATM 1149 O O . HOH C 3 . . 6.424 28.75 38.849 1 32.17 ? O HOH A 335 1 HETATM 1150 O O . HOH C 3 . . 12.503 30.488 31.704 1 41.11 ? O HOH A 336 1 HETATM 1151 O O . HOH C 3 . . 14.979 30.157 27.559 1 23.78 ? O HOH A 337 1 HETATM 1152 O O . HOH C 3 . . 17.312 32.981 28.812 1 20.84 ? O HOH A 338 1 HETATM 1153 O O . HOH C 3 . . 29.473 25.946 34.693 1 29.05 ? O HOH A 339 1 HETATM 1154 O O . HOH C 3 . . 30.328 23.817 33.494 1 24.17 ? O HOH A 340 1 HETATM 1155 O O . HOH C 3 . . 31.158 28.144 26.433 1 42.66 ? O HOH A 341 1 HETATM 1156 O O . HOH C 3 . . 30.276 28.397 16.4 1 21.9 ? O HOH A 342 1 HETATM 1157 O O . HOH C 3 . . 19.533 23.6 26.857 1 21.12 ? O HOH A 343 1 HETATM 1158 O O . HOH C 3 . . 17.892 24.675 24.549 1 48.11 ? O HOH A 344 1 HETATM 1159 O O . HOH C 3 . . 14.211 24.152 25.435 1 21.09 ? O HOH A 345 1 HETATM 1160 O O . HOH C 3 . . 15.223 27.626 27.056 1 27.16 ? O HOH A 346 1 HETATM 1161 O O . HOH C 3 . . 3.502 22.911 43.083 1 30.15 ? O HOH A 347 1 HETATM 1162 O O . HOH C 3 . . 20.61 7.668 40.212 1 49.06 ? O HOH A 348 1 HETATM 1163 O O . HOH C 3 . . 24.813 2.899 36.403 1 48.98 ? O HOH A 349 1 HETATM 1164 O O . HOH C 3 . . 29.9 5.163 26.918 1 23.6 ? O HOH A 350 1 HETATM 1165 O O . HOH C 3 . . 14.333 5.466 42.757 1 22.9 ? O HOH A 351 1 HETATM 1166 O O . HOH C 3 . . 8.914 5.771 35.515 1 35.92 ? O HOH A 352 1 HETATM 1167 O O . HOH C 3 . . 14.519 28.906 40.193 1 28.73 ? O HOH A 353 1 HETATM 1168 O O . HOH C 3 . . 17.573 20.203 47.08 1 37.63 ? O HOH A 354 1 HETATM 1169 O O . HOH C 3 . . 13.324 32.251 34.152 1 47.79 ? O HOH A 355 1 HETATM 1170 O O . HOH C 3 . . 12.491 24.84 7.594 1 39.45 ? O HOH A 356 1 HETATM 1171 O O . HOH C 3 . . 25.066 15.777 15.214 1 27.39 ? O HOH A 357 1 HETATM 1172 O O . HOH C 3 . . 27.138 17.638 17.834 1 45.12 ? O HOH A 358 1 HETATM 1173 O O . HOH C 3 . . 27.611 19.792 19.503 1 24.45 ? O HOH A 359 1 HETATM 1174 O O . HOH C 3 . . 11.358 8.88 19.119 1 24.31 ? O HOH A 360 1 HETATM 1175 O O . HOH C 3 . . 16.252 27.169 24.557 1 25.4 ? O HOH A 361 1 HETATM 1176 O O . HOH C 3 . . 22.049 27.87 4.565 1 25.37 ? O HOH A 362 1 HETATM 1177 O O . HOH C 3 . . 11.533 6.689 34.501 1 29.92 ? O HOH A 363 1 HETATM 1178 O O . HOH C 3 . . 13.269 4.551 36.338 1 45.75 ? O HOH A 364 1 HETATM 1179 O O . HOH C 3 . . 23.149 9.493 41.173 1 30.1 ? O HOH A 365 1 HETATM 1180 O O . HOH C 3 . . 21.09 12.171 43.973 1 27.97 ? O HOH A 366 1 HETATM 1181 O O . HOH C 3 . . 11.884 13.399 42.56 1 23.28 ? O HOH A 367 1 HETATM 1182 O O . HOH C 3 . . 29.542 17.52 20.025 1 38.32 ? O HOH A 368 1 HETATM 1183 O O . HOH C 3 . . 31.058 17.427 22.538 1 37.85 ? O HOH A 369 1 HETATM 1184 O O . HOH C 3 . . 31.928 9.444 23.294 1 46.07 ? O HOH A 370 1 HETATM 1185 O O . HOH C 3 . . 25.699 10.933 9.557 1 44.12 ? O HOH A 371 1 HETATM 1186 O O . HOH C 3 . . 26.533 13.428 16.334 1 45.21 ? O HOH A 372 1 HETATM 1187 O O . HOH C 3 . . 27.078 16.85 13.245 1 39.52 ? O HOH A 373 1 HETATM 1188 O O . HOH C 3 . . 20.596 32.07 6.807 1 36.38 ? O HOH A 374 1 HETATM 1189 O O . HOH C 3 . . 17.126 28.421 9.515 1 23.81 ? O HOH A 375 1 HETATM 1190 O O . HOH C 3 . . 16.626 32.383 11.231 1 20.11 ? O HOH A 376 1 HETATM 1191 O O . HOH C 3 . . 6.046 30.51 19.639 1 29.02 ? O HOH A 377 1 HETATM 1192 O O . HOH C 3 . . 9.543 16.072 11.145 1 50.91 ? O HOH A 378 1 HETATM 1193 O O . HOH C 3 . . 8.174 14.289 20.24 1 54.21 ? O HOH A 379 1 HETATM 1194 O O . HOH C 3 . . 11.561 10.834 22.873 1 43.23 ? O HOH A 380 1 HETATM 1195 O O . HOH C 3 . . 5.486 15.385 24.922 1 50.19 ? O HOH A 381 1 HETATM 1196 O O . HOH C 3 . . 6.038 21.424 43.276 1 46.64 ? O HOH A 382 1 HETATM 1197 O O . HOH C 3 . . 34.144 19.165 27.284 1 41.41 ? O HOH A 383 1 HETATM 1198 O O . HOH C 3 . . 16.916 27.142 42.621 1 29.32 ? O HOH A 384 1 HETATM 1199 O O . HOH C 3 . . 25.509 24.918 41.52 1 32.12 ? O HOH A 385 1 HETATM 1200 O O . HOH C 3 . . 31.446 7.504 31.389 1 28.93 ? O HOH A 386 1 HETATM 1201 O O . HOH C 3 . . 18.212 20.893 5.892 1 29.9 ? O HOH A 387 1 HETATM 1202 O O . HOH C 3 . . 15.148 27.608 7.685 1 30.91 ? O HOH A 388 1 HETATM 1203 O O . HOH C 3 . . 2.656 23.148 20.117 1 35.98 ? O HOH A 389 1 HETATM 1204 O O . HOH C 3 . . 3.1 22.69 28.64 1 31.31 ? O HOH A 390 1 HETATM 1205 O O . HOH C 3 . . 13.699 19.72 21.819 1 26.56 ? O HOH A 391 1 HETATM 1206 O O . HOH C 3 . . 26.833 28.283 32.272 1 31.48 ? O HOH A 392 1 HETATM 1207 O O . HOH C 3 . . 20.458 26.214 25.811 1 24.39 ? O HOH A 393 1 HETATM 1208 O O . HOH C 3 . . 32.304 27.731 18.152 1 41.66 ? O HOH A 394 1 HETATM 1209 O O . HOH C 3 . . 24.283 13.868 42.687 1 35.59 ? O HOH A 395 1 HETATM 1210 O O . HOH C 3 . . 11.833 12.657 45.16 1 38.3 ? O HOH A 396 1 HETATM 1211 O O . HOH C 3 . . 1.988 27.992 43.589 1 33.97 ? O HOH A 397 1 HETATM 1212 O O . HOH C 3 . . 32.913 22.982 40.176 1 39.26 ? O HOH A 398 1 HETATM 1213 O O . HOH C 3 . . 32.435 20.043 40.169 1 33.87 ? O HOH A 399 1 # _coordinate_server_stats.molecule_cached no _coordinate_server_stats.io_time_ms 1 _coordinate_server_stats.parse_time_ms 13 _coordinate_server_stats.query_time_ms 0 _coordinate_server_stats.format_time_ms 4 #