data_3PC8 # _model_server_result.job_id P9oL4dCZ_qaPikr6TfU3Pg _model_server_result.datetime_utc '2025-06-18 16:51:46' _model_server_result.server_version 0.9.12 _model_server_result.query_name ligand _model_server_result.source_id pdb-bcif _model_server_result.entry_id 3pc8 # _model_server_params.name atom_site _model_server_params.value '{"label_asym_id":"E","auth_seq_id":1}' # _entry.id 3PC8 # _exptl.entry_id 3PC8 _exptl.method 'X-RAY DIFFRACTION' # _entity.details ? _entity.formula_weight 24.305 _entity.id 3 _entity.src_method syn _entity.type non-polymer _entity.pdbx_description 'MAGNESIUM ION' _entity.pdbx_number_of_molecules 1 _entity.pdbx_parent_entity_id . _entity.pdbx_mutation ? _entity.pdbx_fragment ? _entity.pdbx_ec ? # _cell.angle_alpha 90 _cell.angle_beta 90 _cell.angle_gamma 90 _cell.entry_id 3PC8 _cell.length_a 66.32 _cell.length_b 163.48 _cell.length_c 36.74 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 3PC8 _symmetry.cell_setting ? _symmetry.Int_Tables_number 18 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 2' # loop_ _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count _pdbx_struct_assembly.details _pdbx_struct_assembly.id ? tetrameric 4 author_defined_assembly 1 PISA dimeric 2 software_defined_assembly 2 PISA dimeric 2 software_defined_assembly 3 # loop_ _pdbx_struct_assembly_gen.asym_id_list _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression A,B,C,D,E,F,G,H,I,J 1 1 A,C,G,I 2 1 B,D,E,F,H,J 3 1 # _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.matrix[2][1] 0 _pdbx_struct_oper_list.matrix[2][2] 1 _pdbx_struct_oper_list.matrix[2][3] 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[1] 0 _pdbx_struct_oper_list.vector[2] 0 _pdbx_struct_oper_list.vector[3] 0 # _struct_asym.details ? _struct_asym.entity_id 3 _struct_asym.id E _struct_asym.pdbx_modified N _struct_asym.pdbx_blank_PDB_chainid_flag N # loop_ _struct_conn.conn_type_id _struct_conn.details _struct_conn.id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_PDB_id _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order metalc ? metalc1 E MG MG . B MG 1 1_555 H O HOH . B HOH 72 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.079 ? metalc ? metalc2 E MG MG . B MG 1 1_555 H O HOH . B HOH 170 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.08 ? metalc ? metalc3 E MG MG . B MG 1 1_555 H O HOH . B HOH 171 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.079 ? metalc ? metalc4 E MG MG . B MG 1 1_555 H O HOH . B HOH 172 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.08 ? metalc ? metalc5 E MG MG . B MG 1 1_555 H O HOH . B HOH 215 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.08 ? # _chem_comp.formula 'Mg 2' _chem_comp.formula_weight 24.305 _chem_comp.id MG _chem_comp.mon_nstd_flag . _chem_comp.name 'MAGNESIUM ION' _chem_comp.type non-polymer _chem_comp.pdbx_synonyms ? # _atom_sites.entry_id 3PC8 _atom_sites.fract_transf_matrix[1][1] 0.015078 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.006117 _atom_sites.fract_transf_matrix[2][3] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.027218 _atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_ins_code E 3 MG B 1 1 1 MG MG . F 4 TRS D 1 2 2 TRS TRS . G 5 HOH A 1 3 3 HOH HOH . G 5 HOH A 2 5 5 HOH HOH . G 5 HOH A 3 8 8 HOH HOH . G 5 HOH A 4 11 11 HOH HOH . G 5 HOH A 5 12 12 HOH HOH . G 5 HOH A 6 14 14 HOH HOH . G 5 HOH A 7 21 21 HOH HOH . G 5 HOH A 8 28 28 HOH HOH . G 5 HOH A 9 31 31 HOH HOH . G 5 HOH A 10 32 32 HOH HOH . G 5 HOH A 11 34 34 HOH HOH . G 5 HOH A 12 35 35 HOH HOH . G 5 HOH A 13 36 36 HOH HOH . G 5 HOH A 14 42 42 HOH HOH . G 5 HOH A 15 43 43 HOH HOH . G 5 HOH A 16 44 44 HOH HOH . G 5 HOH A 17 45 45 HOH HOH . G 5 HOH A 18 50 50 HOH HOH . G 5 HOH A 19 52 52 HOH HOH . G 5 HOH A 20 56 56 HOH HOH . G 5 HOH A 21 58 58 HOH HOH . G 5 HOH A 22 64 64 HOH HOH . G 5 HOH A 23 67 67 HOH HOH . G 5 HOH A 24 69 69 HOH HOH . G 5 HOH A 25 75 75 HOH HOH . G 5 HOH A 26 78 78 HOH HOH . G 5 HOH A 27 79 79 HOH HOH . G 5 HOH A 28 81 81 HOH HOH . G 5 HOH A 29 86 86 HOH HOH . G 5 HOH A 30 87 87 HOH HOH . G 5 HOH A 31 91 91 HOH HOH . G 5 HOH A 32 98 98 HOH HOH . G 5 HOH A 33 102 102 HOH HOH . G 5 HOH A 34 103 103 HOH HOH . G 5 HOH A 35 104 104 HOH HOH . G 5 HOH A 36 105 105 HOH HOH . G 5 HOH A 37 109 109 HOH HOH . G 5 HOH A 38 112 112 HOH HOH . G 5 HOH A 39 113 113 HOH HOH . G 5 HOH A 40 114 114 HOH HOH . G 5 HOH A 41 115 115 HOH HOH . G 5 HOH A 42 123 123 HOH HOH . G 5 HOH A 43 124 124 HOH HOH . G 5 HOH A 44 125 125 HOH HOH . G 5 HOH A 45 130 130 HOH HOH . G 5 HOH A 46 137 137 HOH HOH . G 5 HOH A 47 143 143 HOH HOH . G 5 HOH A 48 153 153 HOH HOH . G 5 HOH A 49 154 154 HOH HOH . G 5 HOH A 50 161 161 HOH HOH . G 5 HOH A 51 165 165 HOH HOH . G 5 HOH A 52 167 167 HOH HOH . G 5 HOH A 53 168 168 HOH HOH . G 5 HOH A 54 173 173 HOH HOH . G 5 HOH A 55 180 180 HOH HOH . G 5 HOH A 56 184 184 HOH HOH . G 5 HOH A 57 189 189 HOH HOH . G 5 HOH A 58 190 190 HOH HOH . G 5 HOH A 59 191 191 HOH HOH . G 5 HOH A 60 198 198 HOH HOH . G 5 HOH A 61 199 199 HOH HOH . G 5 HOH A 62 203 203 HOH HOH . G 5 HOH A 63 205 205 HOH HOH . G 5 HOH A 64 214 214 HOH HOH . G 5 HOH A 65 230 230 HOH HOH . G 5 HOH A 66 239 239 HOH HOH . G 5 HOH A 67 242 242 HOH HOH . G 5 HOH A 68 244 244 HOH HOH . H 5 HOH B 1 6 6 HOH HOH . H 5 HOH B 2 7 7 HOH HOH . H 5 HOH B 3 16 16 HOH HOH . H 5 HOH B 4 17 17 HOH HOH . H 5 HOH B 5 19 19 HOH HOH . H 5 HOH B 6 22 22 HOH HOH . H 5 HOH B 7 24 24 HOH HOH . H 5 HOH B 8 29 29 HOH HOH . H 5 HOH B 9 30 30 HOH HOH . H 5 HOH B 10 37 37 HOH HOH . H 5 HOH B 11 38 38 HOH HOH . H 5 HOH B 12 41 41 HOH HOH . H 5 HOH B 13 51 51 HOH HOH . H 5 HOH B 14 55 55 HOH HOH . H 5 HOH B 15 61 61 HOH HOH . H 5 HOH B 16 66 66 HOH HOH . H 5 HOH B 17 72 72 HOH HOH . H 5 HOH B 18 93 93 HOH HOH . H 5 HOH B 19 107 107 HOH HOH . H 5 HOH B 20 128 128 HOH HOH . H 5 HOH B 21 131 131 HOH HOH . H 5 HOH B 22 135 135 HOH HOH . H 5 HOH B 23 139 139 HOH HOH . H 5 HOH B 24 144 144 HOH HOH . H 5 HOH B 25 145 145 HOH HOH . H 5 HOH B 26 146 146 HOH HOH . H 5 HOH B 27 149 149 HOH HOH . H 5 HOH B 28 151 151 HOH HOH . H 5 HOH B 29 157 157 HOH HOH . H 5 HOH B 30 160 160 HOH HOH . H 5 HOH B 31 166 166 HOH HOH . H 5 HOH B 32 170 170 HOH HOH . H 5 HOH B 33 171 171 HOH HOH . H 5 HOH B 34 172 172 HOH HOH . H 5 HOH B 35 177 177 HOH HOH . H 5 HOH B 36 181 181 HOH HOH . H 5 HOH B 37 182 182 HOH HOH . H 5 HOH B 38 188 188 HOH HOH . H 5 HOH B 39 193 193 HOH HOH . H 5 HOH B 40 195 195 HOH HOH . H 5 HOH B 41 196 196 HOH HOH . H 5 HOH B 42 206 206 HOH HOH . H 5 HOH B 43 207 207 HOH HOH . H 5 HOH B 44 212 212 HOH HOH . H 5 HOH B 45 215 215 HOH HOH . H 5 HOH B 46 220 220 HOH HOH . H 5 HOH B 47 231 231 HOH HOH . H 5 HOH B 48 235 235 HOH HOH . H 5 HOH B 49 236 236 HOH HOH . H 5 HOH B 50 243 243 HOH HOH . I 5 HOH C 1 2 2 HOH HOH . I 5 HOH C 2 4 4 HOH HOH . I 5 HOH C 3 9 9 HOH HOH . I 5 HOH C 4 10 10 HOH HOH . I 5 HOH C 5 15 15 HOH HOH . I 5 HOH C 6 18 18 HOH HOH . I 5 HOH C 7 20 20 HOH HOH . I 5 HOH C 8 33 33 HOH HOH . I 5 HOH C 9 40 40 HOH HOH . I 5 HOH C 10 46 46 HOH HOH . I 5 HOH C 11 47 47 HOH HOH . I 5 HOH C 12 48 48 HOH HOH . I 5 HOH C 13 49 49 HOH HOH . I 5 HOH C 14 53 53 HOH HOH . I 5 HOH C 15 60 60 HOH HOH . I 5 HOH C 16 62 62 HOH HOH . I 5 HOH C 17 70 70 HOH HOH . I 5 HOH C 18 73 73 HOH HOH . I 5 HOH C 19 80 80 HOH HOH . I 5 HOH C 20 85 85 HOH HOH . I 5 HOH C 21 88 88 HOH HOH . I 5 HOH C 22 96 96 HOH HOH . I 5 HOH C 23 108 108 HOH HOH . I 5 HOH C 24 111 111 HOH HOH . I 5 HOH C 25 119 119 HOH HOH . I 5 HOH C 26 122 122 HOH HOH . I 5 HOH C 27 133 133 HOH HOH . I 5 HOH C 28 134 134 HOH HOH . I 5 HOH C 29 148 148 HOH HOH . I 5 HOH C 30 162 162 HOH HOH . I 5 HOH C 31 169 169 HOH HOH . I 5 HOH C 32 174 174 HOH HOH . I 5 HOH C 33 175 175 HOH HOH . I 5 HOH C 34 176 176 HOH HOH . I 5 HOH C 35 183 183 HOH HOH . I 5 HOH C 36 200 200 HOH HOH . I 5 HOH C 37 201 201 HOH HOH . I 5 HOH C 38 202 202 HOH HOH . I 5 HOH C 39 208 208 HOH HOH . I 5 HOH C 40 209 209 HOH HOH . I 5 HOH C 41 210 210 HOH HOH . I 5 HOH C 42 211 211 HOH HOH . I 5 HOH C 43 216 216 HOH HOH . I 5 HOH C 44 217 217 HOH HOH . I 5 HOH C 45 218 218 HOH HOH . I 5 HOH C 46 219 219 HOH HOH . I 5 HOH C 47 221 221 HOH HOH . I 5 HOH C 48 227 227 HOH HOH . I 5 HOH C 49 232 232 HOH HOH . I 5 HOH C 50 237 237 HOH HOH . I 5 HOH C 51 241 241 HOH HOH . J 5 HOH D 1 1 1 HOH HOH . J 5 HOH D 2 13 13 HOH HOH . J 5 HOH D 3 23 23 HOH HOH . J 5 HOH D 4 25 25 HOH HOH . J 5 HOH D 5 26 26 HOH HOH . J 5 HOH D 6 27 27 HOH HOH . J 5 HOH D 7 39 39 HOH HOH . J 5 HOH D 8 57 57 HOH HOH . J 5 HOH D 9 59 59 HOH HOH . J 5 HOH D 10 65 65 HOH HOH . J 5 HOH D 11 68 68 HOH HOH . J 5 HOH D 12 71 71 HOH HOH . J 5 HOH D 13 82 82 HOH HOH . J 5 HOH D 14 92 92 HOH HOH . J 5 HOH D 15 97 97 HOH HOH . J 5 HOH D 16 110 110 HOH HOH . J 5 HOH D 17 116 116 HOH HOH . J 5 HOH D 18 117 117 HOH HOH . J 5 HOH D 19 120 120 HOH HOH . J 5 HOH D 20 121 121 HOH HOH . J 5 HOH D 21 138 138 HOH HOH . J 5 HOH D 22 140 140 HOH HOH . J 5 HOH D 23 141 141 HOH HOH . J 5 HOH D 24 147 147 HOH HOH . J 5 HOH D 25 155 155 HOH HOH . J 5 HOH D 26 156 156 HOH HOH . J 5 HOH D 27 163 163 HOH HOH . J 5 HOH D 28 164 164 HOH HOH . J 5 HOH D 29 186 186 HOH HOH . J 5 HOH D 30 192 192 HOH HOH . J 5 HOH D 31 194 194 HOH HOH . J 5 HOH D 32 197 197 HOH HOH . J 5 HOH D 33 204 204 HOH HOH . J 5 HOH D 34 223 223 HOH HOH . J 5 HOH D 35 224 224 HOH HOH . J 5 HOH D 36 225 225 HOH HOH . J 5 HOH D 37 229 229 HOH HOH . J 5 HOH D 38 238 238 HOH HOH . J 5 HOH D 39 240 240 HOH HOH . # _atom_site.group_PDB HETATM _atom_site.id 1 _atom_site.type_symbol MG _atom_site.label_atom_id MG _atom_site.label_comp_id MG _atom_site.label_seq_id . _atom_site.label_alt_id . _atom_site.pdbx_PDB_ins_code . _atom_site.label_asym_id E _atom_site.label_entity_id 3 _atom_site.Cartn_x -2.991 _atom_site.Cartn_y 29.307 _atom_site.Cartn_z -7.79 _atom_site.occupancy 1 _atom_site.B_iso_or_equiv 96.76 _atom_site.pdbx_formal_charge ? _atom_site.auth_atom_id MG _atom_site.auth_comp_id MG _atom_site.auth_seq_id 1 _atom_site.auth_asym_id B _atom_site.pdbx_PDB_model_num 1 # _model_server_stats.io_time_ms 75 _model_server_stats.parse_time_ms 25 _model_server_stats.create_model_time_ms 8 _model_server_stats.query_time_ms 316 _model_server_stats.encode_time_ms 2 _model_server_stats.element_count 1 #