data_TEW # _chem_comp.id TEW _chem_comp.name "6-tungstotellurate(VI)" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "O24 Te W6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge ? _chem_comp.pdbx_initial_date 2014-03-24 _chem_comp.pdbx_modified_date 2026-09-01 _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 1614.626 _chem_comp.one_letter_code ? _chem_comp.three_letter_code TEW _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 4OUA _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 TEW O1 O1 O -2 1 N N N N N N -7.522 1.281 34.001 -7.741 1.068 33.906 O1 TEW 1 TEW O2 O2 O -2 1 N N N N N N -6.914 1.351 31.483 -6.788 1.125 31.571 O2 TEW 2 TEW O3 O3 O -2 1 N N N N N N -9.128 -0.065 32.572 -9.038 0.103 32.611 O3 TEW 3 TEW O4 O4 O -2 1 N N N N N N -5.358 -0.136 32.804 -5.537 0.018 32.797 O4 TEW 4 TEW O5 O5 O -2 1 N N N N N N -7.272 -1.555 31.319 -7.241 -1.321 31.425 O5 TEW 5 TEW O6 O6 O -2 1 N N N N N N -7.300 -1.595 34.066 -7.398 -1.399 33.889 O6 TEW 6 TEW O7 O7 O -2 1 N N N N N N -9.134 2.745 32.570 -9.282 2.762 32.848 O7 TEW 7 TEW O8 O8 O -2 1 N N N N N N -9.772 -0.013 35.284 -9.727 0.131 35.082 O8 TEW 8 TEW O9 O9 O -2 1 N N N N N N -11.448 1.162 33.429 -11.185 1.268 33.445 O9 TEW 9 TEW O10 O10 O -2 1 N N N N N N -9.773 2.707 35.035 -9.626 2.702 34.890 O10 TEW 10 TEW O11 O11 O -2 1 N N N N N N -6.888 4.195 31.589 -6.716 4.368 31.679 O11 TEW 11 TEW O12 O12 O -2 1 N N N N N N -7.530 4.128 34.095 -7.669 4.312 34.013 O12 TEW 12 TEW O13 O13 O -2 1 N N N N N N -5.297 2.708 33.023 -5.174 2.674 32.736 O13 TEW 13 TEW O14 O14 O -2 1 N N N N N N -4.645 2.802 30.566 -4.831 2.734 30.694 O14 TEW 14 TEW O15 O15 O -2 1 N N N N N N -4.661 0.078 30.103 -4.844 0.179 30.333 O15 TEW 15 TEW O16 O16 O -2 1 N N N N N N -3.045 1.080 32.087 -3.340 1.139 32.039 O16 TEW 16 TEW O17 O17 O -2 1 N N N N N N -9.075 5.600 32.738 -8.919 5.418 32.787 O17 TEW 17 TEW O18 O18 O -2 1 N N N N N N -9.813 5.433 35.428 -9.613 5.258 35.251 O18 TEW 18 TEW O19 O19 O -2 1 N N N N N N -11.391 4.369 33.441 -11.117 4.297 33.545 O19 TEW 19 TEW O20 O20 O -2 1 N N N N N N -5.313 5.540 33.059 -5.419 5.334 32.973 O20 TEW 20 TEW O21 O21 O -2 1 N N N N N N -7.196 7.038 34.261 -7.215 6.757 34.159 O21 TEW 21 TEW O22 O22 O -2 1 N N N N N N -7.115 7.069 31.511 -7.059 6.835 31.695 O22 TEW 22 TEW O23 O23 O -2 1 N N N N N N -4.593 5.508 30.372 -4.730 5.306 30.503 O23 TEW 23 TEW O31 O31 O -2 1 N N N N N N -2.977 4.294 32.255 -3.272 4.168 32.140 O31 TEW 24 TEW TE1 TE1 TE 0 0 N N N N N N -7.214 2.736 32.793 -7.228 2.718 32.792 TE1 TEW 25 TEW W1 W1 W ? 1 N N N N N N -7.248 -0.537 32.716 -7.292 -0.135 32.698 W1 TEW 26 TEW W2 W2 W ? 1 N N N N N N -9.806 1.113 33.953 -9.486 1.306 33.821 W2 TEW 27 TEW W3 W3 W ? 1 N N N N N N -4.664 1.121 31.470 -5.034 1.278 31.669 W3 TEW 28 TEW W4 W4 W ? 1 N N N N N N -9.782 4.361 34.082 -9.423 4.159 33.916 W4 TEW 29 TEW W5 W5 W ? 1 N N N N N N -7.189 6.016 32.865 -7.165 5.571 32.887 W5 TEW 30 TEW W6 W6 W ? 1 N N N N N N -4.602 4.368 31.690 -4.970 4.131 31.763 W6 TEW 31 # 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 TEW O1 TE1 SING N N 1 N N TEW O1 W1 SING N N 2 Y N TEW O1 W2 SING N N 3 Y N TEW O2 TE1 SING N N 4 N N TEW O2 W1 SING N N 5 Y N TEW O2 W3 SING N N 6 Y N TEW O3 W1 SING N N 7 Y N TEW O3 W2 SING N N 8 Y N TEW O4 W1 SING N N 9 Y N TEW O4 W3 SING N N 10 Y N TEW O5 W1 SING N N 11 Y N TEW O6 W1 DOUB N N 12 Y N TEW O7 TE1 SING N N 13 N N TEW O7 W2 SING N N 14 Y N TEW O7 W4 SING N N 15 Y N TEW O8 W2 DOUB N N 16 Y N TEW O9 W2 SING N N 17 Y N TEW O10 W2 SING N N 18 Y N TEW O10 W4 SING N N 19 Y N TEW O11 TE1 SING N N 20 N N TEW O11 W5 SING N N 21 Y N TEW O11 W6 SING N N 22 Y N TEW O12 TE1 SING N N 23 N N TEW O12 W4 SING N N 24 Y N TEW O12 W5 SING N N 25 Y N TEW O13 TE1 SING N N 26 N N TEW O13 W3 SING N N 27 Y N TEW O13 W6 SING N N 28 Y N TEW O14 W3 SING N N 29 Y N TEW O14 W6 SING N N 30 Y N TEW O15 W3 DOUB N N 31 Y N TEW O16 W3 SING N N 32 Y N TEW O17 W4 SING N N 33 Y N TEW O17 W5 SING N N 34 Y N TEW O18 W4 DOUB N N 35 Y N TEW O19 W4 SING N N 36 Y N TEW O20 W5 SING N N 37 Y N TEW O20 W6 SING N N 38 Y N TEW O21 W5 DOUB N N 39 Y N TEW O22 W5 SING N N 40 Y N TEW O23 W6 DOUB N N 41 Y N TEW O31 W6 SING N N 42 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 TEW InChI InChI 1.03 "InChI=1S/O6Te.H2O.17O.6W/c1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;/h;1H2;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;6*-1;;;;;;+1/p-1" TEW InChIKey InChI 1.03 JDLYBIMRCSJRQJ-UHFFFAOYSA-M TEW SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O]" TEW SMILES "OpenEye OEToolkits" 1.7.6 "[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O]" # 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 TEW W2 6 "pentagonal bipyramid with a vacancy (equatorial)" "pentagonal bipyramidal with equatorial vacancy" PVP FindGeo 7OVS 2 TEW W3 6 octahedral octahedral OCT MetalCoord 6NYS 3 TEW W3 6 "pentagonal bipyramid with a vacancy (equatorial)" "pentagonal bipyramidal with equatorial vacancy" PVP FindGeo 7OVS 4 TEW W4 6 octahedron octahedral OCT FindGeo 4Z13 4 TEW W4 6 octahedral octahedral OCT MetalCoord 4Z13 5 TEW W4 6 "pentagonal bipyramid with a vacancy (equatorial)" "pentagonal bipyramidal with equatorial vacancy" PVP FindGeo 7OVS 6 TEW W5 6 octahedral octahedral OCT MetalCoord 4Z13 7 TEW W6 6 octahedron octahedral OCT FindGeo 6NYS 7 TEW W6 6 octahedral octahedral OCT MetalCoord 6NYS 8 TEW W6 6 "pentagonal bipyramid with a vacancy (equatorial)" "pentagonal bipyramidal with equatorial vacancy" PVP FindGeo 7OVS # 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 2 TEW W3 "@OCT{W,O,O,O,O,O,O}" MetalCoord 6NYS 2 4 TEW W4 "@OCT{W,O,O,O,O,O,O}" MetalCoord 4Z13 3 6 TEW W5 "@OCT{W,O,O,O,O,O,O}" MetalCoord 4Z13 4 7 TEW W6 "@OCT{W,O,O,O,O,O,O}" MetalCoord 6NYS # 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 TEW ARG None "Metal coordination" "Any position" W2 NH2 ? ? "Amino-acid side chain" 2 TEW ARG None "Metal coordination" "Any position" W3 NH2 ? ? "Amino-acid side chain" 3 TEW ARG None "Metal coordination" "Any position" W4 NH2 ? ? "Amino-acid side chain" 4 TEW ARG None "Metal coordination" "Any position" W4 NH1 ? ? "Amino-acid side chain" 5 TEW ARG None "Metal coordination" "Any position" W5 NE ? ? "Amino-acid side chain" 6 TEW ARG None "Metal coordination" "Any position" W5 NH2 ? ? "Amino-acid side chain" 7 TEW ARG None "Metal coordination" "Any position" W5 NH1 ? ? "Amino-acid side chain" 8 TEW ARG None "Metal coordination" "Any position" W6 NH2 ? ? "Amino-acid side chain" 9 TEW ARG None "Metal coordination" "Any position" W6 NH1 ? ? "Amino-acid side chain" 10 TEW ASN None "Metal coordination" "Any position" W2 OD1 ? ? "Amino-acid side chain" 11 TEW ASN None "Metal coordination" "Any position" W5 ND2 ? ? "Amino-acid side chain" 12 TEW ASN None "Metal coordination" "Any position" W5 OD1 ? ? "Amino-acid side chain" 13 TEW ASP None "Metal coordination" "Any position" W2 OD2 ? ? "Amino-acid side chain" 14 TEW GLU None "Metal coordination" "Any position" W4 OE1 ? ? "Amino-acid side chain" 15 TEW GLU None "Metal coordination" "Any position" W5 OE2 ? ? "Amino-acid side chain" 16 TEW GLU None "Metal coordination" "Any position" W6 OE1 ? ? "Amino-acid side chain" 17 TEW LYS None "Metal coordination" "Any position" W1 NZ ? ? "Amino-acid side chain" 18 TEW LYS None "Metal coordination" "Any position" W2 NZ ? ? "Amino-acid side chain" 19 TEW LYS None "Metal coordination" "Any position" W4 NZ ? ? "Amino-acid side chain" 20 TEW THR None "Metal coordination" "Any position" W1 OG1 ? ? "Amino-acid side chain" 21 TEW TYR None "Metal coordination" "Any position" W3 OH ? ? "Amino-acid side chain" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site TEW "Create component" 2014-03-24 RCSB TEW "Initial release" 2014-06-25 RCSB TEW "Other modification" 2026-07-17 RCSB TEW "Other modification" 2026-07-31 RCSB TEW "Other modification" 2026-09-01 RCSB #