data_PTN
# 
_chem_comp.id                                    PTN 
_chem_comp.name                                  "PLATINUM TRIAMINE ION" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAI 
_chem_comp.formula                               "H9 N3 Pt" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    2 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2023-09-23 
_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                        246.170 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PTN 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   Y 
_chem_comp.pdbx_model_coordinates_db_code        211D 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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.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 
PTN PT  PT  PT 2 0 N N N -10.515 -14.760 32.420 ? ? ? PT  PTN 1  
PTN N1  N1  N  0 1 N N N -9.512  -14.695 30.662 ? ? ? N1  PTN 2  
PTN N2  N2  N  0 1 N N N -11.530 -14.835 34.141 ? ? ? N2  PTN 3  
PTN N3  N3  N  0 1 N N N -8.791  -14.283 33.410 ? ? ? N3  PTN 4  
PTN H11 H11 H  0 1 N N N -8.586  -14.352 30.819 ? ? ? H11 PTN 5  
PTN H12 H12 H  0 1 N N N -9.465  -15.614 30.271 ? ? ? H12 PTN 6  
PTN H13 H13 H  0 1 N N N -9.990  -14.087 30.028 ? ? ? H13 PTN 7  
PTN H21 H21 H  0 1 N N N -10.946 -14.516 34.887 ? ? ? H21 PTN 8  
PTN H22 H22 H  0 1 N N N -12.338 -14.250 34.077 ? ? ? H22 PTN 9  
PTN H23 H23 H  0 1 N N N -11.814 -15.777 34.320 ? ? ? H23 PTN 10 
PTN H31 H31 H  0 1 N N N -8.973  -14.234 34.392 ? ? ? H31 PTN 11 
PTN H32 H32 H  0 1 N N N -8.100  -14.984 33.233 ? ? ? H32 PTN 12 
PTN H33 H33 H  0 1 N N N -8.456  -13.397 33.089 ? ? ? H33 PTN 13 
# 
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 
PTN PT N1  SING N N 1  
PTN PT N2  SING N N 2  
PTN PT N3  SING N N 3  
PTN N1 H11 SING N N 4  
PTN N1 H12 SING N N 5  
PTN N1 H13 SING N N 6  
PTN N2 H21 SING N N 7  
PTN N2 H22 SING N N 8  
PTN N2 H23 SING N N 9  
PTN N3 H31 SING N N 10 
PTN N3 H32 SING N N 11 
PTN N3 H33 SING N N 12 
# 
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 
PTN InChI            InChI                1.06  InChI=1S/3H3N.Pt/h3*1H3;/q;;;+2 
PTN InChIKey         InChI                1.06  OMAFVUDQJABSNM-UHFFFAOYSA-N     
PTN SMILES_CANONICAL CACTVS               3.385 "N.N.N.[Pt++]"                  
PTN SMILES           CACTVS               3.385 "N.N.N.[Pt++]"                  
PTN SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "[NH3][Pt+2]([NH3])[NH3]"       
PTN SMILES           "OpenEye OEToolkits" 2.0.7 "[NH3][Pt+2]([NH3])[NH3]"       
# 
_pdbx_chem_comp_identifier.comp_id           PTN 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "tris($l^{4}-azanyl)platinum(2+)" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
PTN "Create component"  1999-07-08 RCSB 
PTN "Modify descriptor" 2023-09-23 RCSB 
#