data_CPT # _chem_comp.id CPT _chem_comp.name Cisplatin _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAD _chem_comp.formula "Cl2 H6 N2 Pt" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "diammine(dichloro)platinum" _chem_comp.pdbx_formal_charge ? _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2026-09-16 _chem_comp.pdbx_ambiguous_flag Y _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 300.045 _chem_comp.one_letter_code ? _chem_comp.three_letter_code CPT _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details MetalCoord _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1A2E _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB _chem_comp.pdbx_comp_type "metal-containing ligand" _chem_comp.pdbx_pcm Y # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_backbone_atom_flag _chem_comp_atom.pdbx_n_terminal_atom_flag _chem_comp_atom.pdbx_c_terminal_atom_flag _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal CPT PT1 PT1 PT ? 0 N N N N N N 9.157 7.362 35.129 9.216 6.946 35.079 PT1 CPT 1 CPT N1 N1 N 0 1 N Y N N N N 9.603 6.346 33.453 9.274 5.547 33.622 N1 CPT 2 CPT N2 N2 N 0 1 N Y N N N N 7.233 7.331 34.594 7.315 7.261 34.469 N2 CPT 3 CPT H11 H11 H 0 1 N Y N N N N 10.589 6.184 33.413 8.532 5.042 33.634 H11 CPT 4 CPT H12 H12 H 0 1 N Y N N N N 9.121 5.470 33.456 9.981 5.005 33.728 H12 CPT 5 CPT H21 H21 H 0 1 N Y N N N N 6.686 7.802 35.286 6.740 6.762 34.945 H21 CPT 6 CPT H22 H22 H 0 1 N Y N N N N 7.125 7.792 33.713 7.216 7.048 33.603 H22 CPT 7 CPT CL2 CL2 CL -1 0 N Y N N N N 9.080 7.948 36.213 9.094 8.640 36.630 CL2 CPT 8 CPT CL1 CL1 CL -1 0 N Y N N N N 10.583 7.390 35.485 11.345 6.433 35.781 CL1 CPT 9 CPT H13 H13 H 0 1 N Y N N N N 9.321 6.879 32.655 9.336 5.931 32.813 H13 CPT 10 CPT H23 H23 H 0 1 N Y N N N N 6.925 6.383 34.514 7.086 8.123 34.571 H23 CPT 11 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal _chem_comp_bond.pdbx_metal_coordination_flag _chem_comp_bond.pdbx_metal_pi_flag CPT PT1 N1 SING N N 1 Y N CPT PT1 N2 SING N N 2 Y N CPT N1 H11 SING N N 3 N N CPT N1 H12 SING N N 4 N N CPT N1 H13 SING N N 5 N N CPT N2 H21 SING N N 6 N N CPT N2 H22 SING N N 7 N N CPT N2 H23 SING N N 8 N N CPT CL2 PT1 SING N N 9 Y N CPT CL1 PT1 SING N N 10 Y N # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor CPT SMILES ACDLabs 12.01 "[Pt](N)(N)(Cl)Cl" CPT InChI InChI 1.03 InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2 CPT InChIKey InChI 1.03 LXZZYRPGZAFOLE-UHFFFAOYSA-L CPT SMILES_CANONICAL CACTVS 3.385 "N|[Pt](|N)(Cl)Cl" CPT SMILES CACTVS 3.385 "N|[Pt](|N)(Cl)Cl" CPT SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "[NH3][Pt]([NH3])(Cl)Cl" CPT SMILES "OpenEye OEToolkits" 1.7.6 "[NH3][Pt]([NH3])(Cl)Cl" # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier CPT "SYSTEMATIC NAME" ACDLabs 12.01 "diammine(dichloro)platinum" CPT "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "bis(chloranyl)-bis($l^{4}-azanyl)platinum" # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id CPT _pdbx_chem_comp_synonyms.name "diammine(dichloro)platinum" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? # loop_ _pdbx_chem_comp_atom_coordination.geometry_id _pdbx_chem_comp_atom_coordination.comp_id _pdbx_chem_comp_atom_coordination.atom_id _pdbx_chem_comp_atom_coordination.number _pdbx_chem_comp_atom_coordination.geometry_calculated _pdbx_chem_comp_atom_coordination.geometry_generic _pdbx_chem_comp_atom_coordination.geometry_abbr _pdbx_chem_comp_atom_coordination.provenance 1 CPT PT1 4 square-planar "square planar" SPL MetalCoord 1 CPT PT1 4 "square plane" "square planar" SPL FindGeo # loop_ _pdbx_chem_comp_atom_coordination_sphere.id _pdbx_chem_comp_atom_coordination_sphere.geometry_id _pdbx_chem_comp_atom_coordination_sphere.comp_id _pdbx_chem_comp_atom_coordination_sphere.atom_id _pdbx_chem_comp_atom_coordination_sphere.descriptor _pdbx_chem_comp_atom_coordination_sphere.provenance 1 1 CPT PT1 "@SPL{Pt,Cl,N,Cl,N}" MetalCoord 2 1 CPT PT1 "@SPL{Pt,N,N,N,O}" MetalCoord 3 1 CPT PT1 "@SPL{Pt,Cl,N,N,N}" MetalCoord 4 1 CPT PT1 "@SPL{Pt,N,N,N,N}" MetalCoord 5 1 CPT PT1 "@SPL{Pt,Cl,O,N,N}" MetalCoord 6 1 CPT PT1 "@SPL{Pt,N,O,N,S}" MetalCoord 7 1 CPT PT1 "@SPL{Pt,N,N,N,S}" MetalCoord 8 1 CPT PT1 "@SPL{Pt,Cl,N,N,S}" MetalCoord 9 1 CPT PT1 "@SPL{Pt,Cl,S,N,O}" MetalCoord # loop_ _pdbx_chem_comp_pcm.pcm_id _pdbx_chem_comp_pcm.comp_id _pdbx_chem_comp_pcm.modified_residue_id _pdbx_chem_comp_pcm.type _pdbx_chem_comp_pcm.category _pdbx_chem_comp_pcm.polypeptide_position _pdbx_chem_comp_pcm.comp_id_linking_atom _pdbx_chem_comp_pcm.modified_residue_id_linking_atom _pdbx_chem_comp_pcm.uniprot_specific_ptm_accession _pdbx_chem_comp_pcm.uniprot_generic_ptm_accession _pdbx_chem_comp_pcm.position 1 CPT ARG None "Metal coordination" "Any position" PT1 NH1 ? ? "Amino-acid side chain" 2 CPT ARG None "Metal coordination" "Any position" PT1 NH2 ? ? "Amino-acid side chain" 3 CPT ASP None "Metal coordination" "Any position" PT1 OD1 ? ? "Amino-acid side chain" 4 CPT ASP None "Metal coordination" "Any position" PT1 OD2 ? ? "Amino-acid side chain" 5 CPT CYS None "Metal coordination" "Any position" PT1 N ? ? "Amino-acid backbone" 6 CPT CYS None "Metal coordination" "Any position" PT1 SG ? ? "Amino-acid side chain" 7 CPT GLN None "Metal coordination" "Any position" PT1 NE2 ? ? "Amino-acid side chain" 8 CPT GLU None "Metal coordination" "Any position" PT1 OE2 ? ? "Amino-acid side chain" 9 CPT HIS None "Metal coordination" "Any position" PT1 NE2 ? ? "Amino-acid side chain" 10 CPT HIS None "Metal coordination" "Any position" PT1 ND1 ? ? "Amino-acid side chain" 11 CPT LYS None "Metal coordination" "Any position" PT1 NZ ? ? "Amino-acid side chain" 12 CPT MET None "Metal coordination" "Any position" PT1 SD ? ? "Amino-acid side chain" 13 CPT MET None "Metal coordination" "Any position" PT1 N ? ? "Amino-acid backbone" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site CPT "Create component" 1999-07-08 RCSB CPT "Modify leaving atom flag" 2014-05-22 RCSB CPT "Other modification" 2015-07-08 RCSB CPT "Modify synonyms" 2021-03-01 PDBE CPT "Other modification" 2026-07-17 RCSB CPT "Other modification" 2026-07-31 RCSB CPT "Other modification" 2026-09-16 RCSB #