data_1CBS # _coordinate_server_result.query_type residues _coordinate_server_result.datetime_utc '2024-03-28 23:30:41' _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 authAsymId A authName REA authSeqNumber 200 entityId . asymId . name . insCode . seqNumber . atomSitesOnly 0 modelId . format mmCIF encoding cif lowPrecisionCoords false # _entry.id 1CBS # _entity.id 2 _entity.type non-polymer _entity.src_method syn _entity.pdbx_description 'RETINOIC ACID' _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 B _struct_asym.pdbx_blank_PDB_chainid_flag N _struct_asym.pdbx_modified Y _struct_asym.entity_id 2 _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 REA N 1 N C1 C2 SING REA N 2 N C1 C6 SING REA N 3 N C1 C16 SING REA N 4 N C1 C17 SING REA N 5 N C2 C3 SING REA N 6 N C2 H21 SING REA N 7 N C2 H22 SING REA N 8 N C3 C4 SING REA N 9 N C3 H31 SING REA N 10 N C3 H32 SING REA N 11 N C4 C5 SING REA N 12 N C4 H41 SING REA N 13 N C4 H42 SING REA N 14 N C5 C6 DOUB REA N 15 N C5 C18 SING REA N 16 N C6 C7 SING REA E 17 N C7 C8 DOUB REA N 18 N C7 H7 SING REA N 19 N C8 C9 SING REA N 20 N C8 H8 SING REA E 21 N C9 C10 DOUB REA N 22 N C9 C19 SING REA N 23 N C10 C11 SING REA N 24 N C10 H10 SING REA E 25 N C11 C12 DOUB REA N 26 N C11 H11 SING REA N 27 N C12 C13 SING REA N 28 N C12 H12 SING REA E 29 N C13 C14 DOUB REA N 30 N C13 C20 SING REA N 31 N C14 C15 SING REA N 32 N C14 H14 SING REA N 33 N C15 O1 DOUB REA N 34 N C15 O2 SING REA N 35 N C16 H161 SING REA N 36 N C16 H162 SING REA N 37 N C16 H163 SING REA N 38 N C17 H171 SING REA N 39 N C17 H172 SING REA N 40 N C17 H173 SING REA N 41 N C18 H181 SING REA N 42 N C18 H182 SING REA N 43 N C18 H183 SING REA N 44 N C19 H191 SING REA N 45 N C19 H192 SING REA N 46 N C19 H193 SING REA N 47 N C20 H201 SING REA N 48 N C20 H202 SING REA N 49 N C20 H203 SING REA N 50 N O2 HO2 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 1092 C C1 . REA B 2 . . 21.972 29.831 16.739 1 15.25 ? C1 REA A 200 1 HETATM 1093 C C2 . REA B 2 . . 20.921 30.524 15.841 1 15.61 ? C2 REA A 200 1 HETATM 1094 C C3 . REA B 2 . . 20.245 29.635 14.848 1 16.19 ? C3 REA A 200 1 HETATM 1095 C C4 . REA B 2 . . 19.555 28.479 15.488 1 14.59 ? C4 REA A 200 1 HETATM 1096 C C5 . REA B 2 . . 20.389 27.812 16.587 1 14.1 ? C5 REA A 200 1 HETATM 1097 C C6 . REA B 2 . . 21.425 28.446 17.218 1 14.42 ? C6 REA A 200 1 HETATM 1098 C C7 . REA B 2 . . 22.242 27.851 18.297 1 13.89 ? C7 REA A 200 1 HETATM 1099 C C8 . REA B 2 . . 21.868 26.977 19.24 1 11.86 ? C8 REA A 200 1 HETATM 1100 C C9 . REA B 2 . . 22.705 26.434 20.286 1 10.87 ? C9 REA A 200 1 HETATM 1101 C C10 . REA B 2 . . 22.159 25.536 21.131 1 9.19 ? C10 REA A 200 1 HETATM 1102 C C11 . REA B 2 . . 22.875 24.924 22.234 1 10.35 ? C11 REA A 200 1 HETATM 1103 C C12 . REA B 2 . . 22.237 24.026 22.99 1 10.53 ? C12 REA A 200 1 HETATM 1104 C C13 . REA B 2 . . 22.856 23.377 24.125 1 10.91 ? C13 REA A 200 1 HETATM 1105 C C14 . REA B 2 . . 22.135 22.473 24.834 1 11.88 ? C14 REA A 200 1 HETATM 1106 C C15 . REA B 2 . . 22.563 21.71 26.016 1 14.86 ? C15 REA A 200 1 HETATM 1107 C C16 . REA B 2 . . 22.238 30.737 17.948 1 15.47 ? C16 REA A 200 1 HETATM 1108 C C17 . REA B 2 . . 23.292 29.62 15.948 1 13.42 ? C17 REA A 200 1 HETATM 1109 C C18 . REA B 2 . . 19.791 26.449 16.947 1 12.61 ? C18 REA A 200 1 HETATM 1110 C C19 . REA B 2 . . 24.181 26.841 20.385 1 10.08 ? C19 REA A 200 1 HETATM 1111 C C20 . REA B 2 . . 24.303 23.747 24.489 1 10.1 ? C20 REA A 200 1 HETATM 1112 O O1 . REA B 2 . . 23.64 21.075 25.978 1 13.29 ? O1 REA A 200 1 HETATM 1113 O O2 . REA B 2 . . 21.84 21.712 27.037 1 10.99 ? O2 REA A 200 1 # _coordinate_server_stats.molecule_cached no _coordinate_server_stats.io_time_ms 1 _coordinate_server_stats.parse_time_ms 12 _coordinate_server_stats.query_time_ms 0 _coordinate_server_stats.format_time_ms 1 #