data_PB # _chem_comp.id PB _chem_comp.name "LEAD (II) ION" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAI _chem_comp.formula Pb _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 2011-06-07 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 207.200 _chem_comp.one_letter_code ? _chem_comp.three_letter_code PB _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code ? _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # _chem_comp_atom.comp_id PB _chem_comp_atom.atom_id PB _chem_comp_atom.alt_atom_id PB _chem_comp_atom.type_symbol PB _chem_comp_atom.charge 2 _chem_comp_atom.pdbx_align 0 _chem_comp_atom.pdbx_aromatic_flag N _chem_comp_atom.pdbx_leaving_atom_flag N _chem_comp_atom.pdbx_stereo_config N _chem_comp_atom.model_Cartn_x 0.000 _chem_comp_atom.model_Cartn_y 0.000 _chem_comp_atom.model_Cartn_z 0.000 _chem_comp_atom.pdbx_model_Cartn_x_ideal 0.000 _chem_comp_atom.pdbx_model_Cartn_y_ideal 0.000 _chem_comp_atom.pdbx_model_Cartn_z_ideal 0.000 _chem_comp_atom.pdbx_component_atom_id PB _chem_comp_atom.pdbx_component_comp_id PB _chem_comp_atom.pdbx_ordinal 1 # 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 PB SMILES ACDLabs 12.01 "Structure should not contain user defined valence" PB InChI InChI 1.03 InChI=1S/Pb/q+2 PB InChIKey InChI 1.03 RVPVRDXYQKGNMQ-UHFFFAOYSA-N PB SMILES_CANONICAL CACTVS 3.370 "[Pb++]" PB SMILES CACTVS 3.370 "[Pb++]" PB SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "[Pb+2]" PB SMILES "OpenEye OEToolkits" 1.7.2 "[Pb+2]" # 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 PB "SYSTEMATIC NAME" ACDLabs 12.01 "lead(2+)" PB "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "lead(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 PB "Create component" 1999-07-08 RCSB PB "Modify descriptor" 2011-06-04 RCSB PB "Modify name" 2011-06-07 RCSB PB "Modify descriptor" 2011-06-07 RCSB PB "Modify identifier" 2011-06-07 RCSB #