data_7EGK # _model_server_result.job_id XRlQb6LyRHgT890k9MoQgQ _model_server_result.datetime_utc '2025-06-19 21:24:34' _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 7egk # _model_server_params.name atom_site _model_server_params.value '{"label_asym_id":"J","auth_seq_id":200}' # _entry.id 7EGK # _exptl.entry_id 7EGK _exptl.method 'ELECTRON MICROSCOPY' # _entity.details ? _entity.formula_weight 347.221 _entity.id 4 _entity.src_method syn _entity.type non-polymer _entity.pdbx_description 'ADENOSINE MONOPHOSPHATE' _entity.pdbx_number_of_molecules 3 _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 7EGK _cell.length_a 1 _cell.length_b 1 _cell.length_c 1 _cell.Z_PDB ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 7EGK _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 1' # _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.id 1 # _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 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 ? _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 # loop_ _struct_asym.details _struct_asym.entity_id _struct_asym.id _struct_asym.pdbx_modified _struct_asym.pdbx_blank_PDB_chainid_flag ? 4 H N N ? 4 J N N ? 4 L N 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 disulf ? disulf1 B SG CYS 105 D CYS 105 1_555 B SG CYS 110 D CYS 110 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.024 ? disulf ? disulf2 D SG CYS 105 F CYS 105 1_555 D SG CYS 110 F CYS 110 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.024 ? disulf ? disulf3 F SG CYS 105 B CYS 105 1_555 F SG CYS 110 B CYS 110 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.024 ? metalc ? metalc1 A O PHE 110 A PHE 110 1_555 G NA NA . A NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.772 ? metalc ? metalc2 A O GLY 111 A GLY 111 1_555 G NA NA . A NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 3.18 ? metalc ? metalc3 A O ALA 112 A ALA 112 1_555 G NA NA . A NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.895 ? metalc ? metalc4 A O ILE 319 A ILE 319 1_555 G NA NA . A NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.863 ? metalc ? metalc5 A O SER 322 A SER 322 1_555 G NA NA . A NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.59 ? metalc ? metalc6 C O PHE 110 C PHE 110 1_555 I NA NA . C NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.772 ? metalc ? metalc7 C O GLY 111 C GLY 111 1_555 I NA NA . C NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 3.18 ? metalc ? metalc8 C O ALA 112 C ALA 112 1_555 I NA NA . C NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.895 ? metalc ? metalc9 C O ILE 319 C ILE 319 1_555 I NA NA . C NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.863 ? metalc ? metalc10 C O ALA 320 C ALA 320 1_555 I NA NA . C NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 3.185 ? metalc ? metalc11 C O SER 322 C SER 322 1_555 I NA NA . C NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.619 ? metalc ? metalc12 E O PHE 110 E PHE 110 1_555 K NA NA . E NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.772 ? metalc ? metalc13 E O GLY 111 E GLY 111 1_555 K NA NA . E NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 3.18 ? metalc ? metalc14 E O ALA 112 E ALA 112 1_555 K NA NA . E NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.895 ? metalc ? metalc15 E O ILE 319 E ILE 319 1_555 K NA NA . E NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.863 ? metalc ? metalc16 E O ALA 320 E ALA 320 1_555 K NA NA . E NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 3.185 ? metalc ? metalc17 E O SER 322 E SER 322 1_555 K NA NA . E NA 401 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.615 ? # _chem_comp.formula 'C10 H14 N5 O7 P' _chem_comp.formula_weight 347.221 _chem_comp.id AMP _chem_comp.mon_nstd_flag . _chem_comp.name 'ADENOSINE MONOPHOSPHATE' _chem_comp.type non-polymer _chem_comp.pdbx_synonyms ? # loop_ _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.comp_id _chem_comp_bond.value_order _chem_comp_bond.pdbx_ordinal _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_aromatic_flag P O1P AMP doub 13 n n P O2P AMP sing 14 n n P O3P AMP sing 15 n n P O5' AMP sing 16 n n O2P HOP2 AMP sing 17 n n O3P HOP3 AMP sing 18 n n O5' C5' AMP sing 19 n n C5' C4' AMP sing 20 n n C5' "H5'1" AMP sing 21 n n C5' "H5'2" AMP sing 22 n n C4' O4' AMP sing 23 n n C4' C3' AMP sing 24 n n C4' H4' AMP sing 25 n n O4' C1' AMP sing 26 n n C3' O3' AMP sing 27 n n C3' C2' AMP sing 28 n n C3' H3' AMP sing 29 n n O3' HO3' AMP sing 30 n n C2' O2' AMP sing 31 n n C2' C1' AMP sing 32 n n C2' H2' AMP sing 33 n n O2' HO2' AMP sing 34 n n C1' N9 AMP sing 35 n n C1' H1' AMP sing 36 n n N9 C8 AMP sing 37 n y N9 C4 AMP sing 38 n y C8 N7 AMP doub 39 n y C8 H8 AMP sing 40 n n N7 C5 AMP sing 41 n y C5 C6 AMP sing 42 n y C5 C4 AMP doub 43 n y C6 N6 AMP sing 44 n n C6 N1 AMP doub 45 n y N6 HN61 AMP sing 46 n n N6 HN62 AMP sing 47 n n N1 C2 AMP sing 48 n y C2 N3 AMP doub 49 n y C2 H2 AMP sing 50 n n N3 C4 AMP sing 51 n y # _atom_sites.entry_id 7EGK _atom_sites.fract_transf_matrix[1][1] 1 _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] 1 _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] 1 _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 G 3 NA A 1 401 402 NA NA . H 4 AMP D 1 201 201 AMP AMP . I 3 NA C 1 401 402 NA NA . J 4 AMP F 1 200 200 AMP AMP . K 3 NA E 1 401 402 NA NA . L 4 AMP B 1 201 202 AMP AMP . # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_comp_id _atom_site.label_seq_id _atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.label_entity_id _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_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num HETATM 1 P P AMP . . . J 4 129.054 111.531 152.427 1 37.37 ? P AMP 200 F 1 HETATM 2 O O1P AMP . . . J 4 129.258 111.28 150.964 1 37.37 ? O1P AMP 200 F 1 HETATM 3 O O2P AMP . . . J 4 130.219 111.147 153.29 1 37.37 ? O2P AMP 200 F 1 HETATM 4 O O3P AMP . . . J 4 127.72 111.116 152.969 1 37.37 ? O3P AMP 200 F 1 HETATM 5 O O5' AMP . . . J 4 129.021 113.115 152.498 1 37.37 ? O5' AMP 200 F 1 HETATM 6 C C5' AMP . . . J 4 128.335 113.873 151.519 1 37.37 ? C5' AMP 200 F 1 HETATM 7 C C4' AMP . . . J 4 128.905 115.26 151.415 1 37.37 ? C4' AMP 200 F 1 HETATM 8 O O4' AMP . . . J 4 128.916 115.861 152.729 1 37.37 ? O4' AMP 200 F 1 HETATM 9 C C3' AMP . . . J 4 130.352 115.337 150.962 1 37.37 ? C3' AMP 200 F 1 HETATM 10 O O3' AMP . . . J 4 130.492 115.283 149.557 1 37.37 ? O3' AMP 200 F 1 HETATM 11 C C2' AMP . . . J 4 130.826 116.646 151.568 1 37.37 ? C2' AMP 200 F 1 HETATM 12 O O2' AMP . . . J 4 130.405 117.741 150.775 1 37.37 ? O2' AMP 200 F 1 HETATM 13 C C1' AMP . . . J 4 130.05 116.68 152.879 1 37.37 ? C1' AMP 200 F 1 HETATM 14 N N9 AMP . . . J 4 130.84 116.167 154.01 1 37.37 ? N9 AMP 200 F 1 HETATM 15 C C8 AMP . . . J 4 130.891 114.892 154.418 1 37.37 ? C8 AMP 200 F 1 HETATM 16 N N7 AMP . . . J 4 131.697 114.745 155.487 1 37.37 ? N7 AMP 200 F 1 HETATM 17 C C5 AMP . . . J 4 132.176 115.956 155.785 1 37.37 ? C5 AMP 200 F 1 HETATM 18 C C6 AMP . . . J 4 133.082 116.513 156.805 1 37.37 ? C6 AMP 200 F 1 HETATM 19 N N6 AMP . . . J 4 133.649 115.723 157.738 1 37.37 ? N6 AMP 200 F 1 HETATM 20 N N1 AMP . . . J 4 133.324 117.832 156.773 1 37.37 ? N1 AMP 200 F 1 HETATM 21 C C2 AMP . . . J 4 132.767 118.627 155.852 1 37.37 ? C2 AMP 200 F 1 HETATM 22 N N3 AMP . . . J 4 131.937 118.191 154.899 1 37.37 ? N3 AMP 200 F 1 HETATM 23 C C4 AMP . . . J 4 131.607 116.888 154.813 1 37.37 ? C4 AMP 200 F 1 # _model_server_stats.io_time_ms 10 _model_server_stats.parse_time_ms 9 _model_server_stats.create_model_time_ms 35 _model_server_stats.query_time_ms 350 _model_server_stats.encode_time_ms 5 _model_server_stats.element_count 23 #