data_WO4 # _chem_comp.id WO4 _chem_comp.name "TUNGSTATE(VI)ION" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAI _chem_comp.formula "O4 W" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge ? _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2026-07-31 _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 247.838 _chem_comp.one_letter_code ? _chem_comp.three_letter_code WO4 _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 1ATG _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 WO4 W W W ? 1 N N N N N N 7.813 23.348 15.289 7.952 23.168 15.262 W WO4 1 WO4 O1 O1 O -2 1 N N N N N N 6.079 23.311 14.903 6.220 22.994 14.938 O1 WO4 2 WO4 O2 O2 O -2 1 N N N N N N 8.260 24.860 16.000 8.299 24.838 15.732 O2 WO4 3 WO4 O3 O3 O -2 1 N N N N N N 8.235 22.071 16.435 8.418 22.076 16.575 O3 WO4 4 WO4 O4 O4 O -2 1 N N N N N N 8.794 23.108 13.834 8.868 22.762 13.803 O4 WO4 5 # 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 WO4 W O1 DOUB N N 1 Y N WO4 W O2 DOUB N N 2 Y N WO4 W O3 SING N N 3 Y N WO4 W O4 SING N N 4 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 WO4 SMILES ACDLabs 10.04 "[O-][W]([O-])(=O)=O" WO4 SMILES_CANONICAL CACTVS 3.341 "[O-][W]([O-])(=O)=O" WO4 SMILES CACTVS 3.341 "[O-][W]([O-])(=O)=O" WO4 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "[O-][W](=O)(=O)[O-]" WO4 SMILES "OpenEye OEToolkits" 1.5.0 "[O-][W](=O)(=O)[O-]" WO4 InChI InChI 1.03 InChI=1S/4O.W/q;;2*-1; WO4 InChIKey InChI 1.03 PBYZMCDFOULPGH-UHFFFAOYSA-N # 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 WO4 "SYSTEMATIC NAME" ACDLabs 10.04 "dioxido(dioxo)tungsten" WO4 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 dioxido-dioxo-tungsten # 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 _pdbx_chem_comp_atom_coordination.representative_entry_id 1 WO4 W 6 octahedron octahedral OCT FindGeo 3CIJ 1 WO4 W 6 octahedral octahedral OCT MetalCoord 3CIJ 2 WO4 W 4 tetrahedron tetrahedral TET FindGeo 1ATG 2 WO4 W 4 tetrahedral tetrahedral TET MetalCoord 1ATG 3 WO4 W 5 trigonal-bipyramid "trigonal bipyramidal" TBP MetalCoord 3F9A 3 WO4 W 5 "trigonal bipyramid" "trigonal bipyramidal" TBP FindGeo 3C7T # 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 _pdbx_chem_comp_atom_coordination_sphere.representative_entry_id 1 1 WO4 W "@OCT{W,O,O,O,O,O,O}" MetalCoord 3CIJ 2 1 WO4 W "@OCT{W,N,O,O,O,O,O}" MetalCoord 1MU7 3 2 WO4 W "@TET{W,O,O,O,O}" MetalCoord 1ATG 4 3 WO4 W "@TBP{W,O,O,O,O,S}" MetalCoord 3F9A 5 3 WO4 W "@TBP{W,O,O,O,N,O}" MetalCoord 3C7T 6 3 WO4 W "@TBP{W,O,O,O,O,O}" MetalCoord 5VJW # 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 WO4 ASP None "Metal coordination" "Any position" W OD1 ? ? "Amino-acid side chain" 2 WO4 ASP None "Metal coordination" "Any position" W OD2 ? ? "Amino-acid side chain" 3 WO4 GLU None "Metal coordination" "Any position" W OE2 ? ? "Amino-acid side chain" 4 WO4 GLU None "Metal coordination" "Any position" W OE1 ? ? "Amino-acid side chain" 5 WO4 HIS None "Metal coordination" "Any position" W NE2 ? ? "Amino-acid side chain" 6 WO4 SER None "Metal coordination" "Any position" W O ? ? "Amino-acid backbone" 7 WO4 SER None "Metal coordination" "Any position" W OG ? ? "Amino-acid side chain" 8 WO4 SER None "Metal coordination" "Any position" W 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 WO4 "Create component" 1999-07-08 RCSB WO4 "Modify descriptor" 2011-06-04 RCSB WO4 "Other modification" 2026-07-17 RCSB WO4 "Other modification" 2026-07-31 RCSB #