data_M10 # _chem_comp.id M10 _chem_comp.name "(mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI)" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "Mo3 O13" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "Trimolybdate [Mo(VI)3O13]8-" _chem_comp.pdbx_formal_charge ? _chem_comp.pdbx_initial_date 2014-05-22 _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 495.812 _chem_comp.one_letter_code ? _chem_comp.three_letter_code M10 _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 4NDO _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB _chem_comp.pdbx_pcm Y _chem_comp.pdbx_comp_type "metal-containing ligand" # 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 M10 O1 O1 O -2 1 N Y N N N N 54.985 31.722 42.761 55.518 32.222 42.834 O1 M10 1 M10 O2 O2 O -2 1 N Y N N N N 60.635 31.757 42.761 59.993 31.918 42.722 O2 M10 2 M10 O3 O3 O -2 1 N Y N N N N 57.780 36.633 42.761 58.017 35.923 42.798 O3 M10 3 M10 O4 O4 O -2 1 N N N N N N 57.813 33.374 42.961 57.827 33.357 42.245 O4 M10 4 M10 MO1 MO1 MO ? 0 N N N N N N 55.830 33.467 41.669 56.195 33.317 41.723 MO1 M10 5 M10 O5 O5 O -2 1 N N N N N N 54.664 33.340 40.413 54.875 33.285 40.652 O5 M10 6 M10 MO2 MO2 MO ? 0 N N N N N N 58.702 31.617 41.669 58.663 31.978 41.665 MO2 M10 7 M10 O6 O6 O -2 1 N N N N N N 56.991 31.985 40.909 57.093 32.059 41.008 O6 M10 8 M10 MO3 MO3 MO ? 0 N N N N N N 58.868 35.029 41.669 58.588 34.783 41.673 MO3 M10 9 M10 O7 O7 O -2 1 N N N N N N 55.089 34.356 42.962 55.459 34.360 42.846 O7 M10 10 M10 O8 O8 O -2 1 N N N N N N 59.395 30.670 40.413 59.304 30.863 40.553 O8 M10 11 M10 O9 O9 O -2 1 N N N N N N 59.405 33.363 40.909 59.267 33.400 40.948 O9 M10 12 M10 O10 O10 O -2 1 N N N N N N 58.302 30.530 42.962 58.161 30.808 42.792 O10 M10 13 M10 O11 O11 O -2 1 N N N N N N 59.341 36.102 40.413 59.177 35.932 40.567 O11 M10 14 M10 O12 O12 O -2 1 N N N N N N 57.004 34.764 40.909 57.025 34.626 41.015 O12 M10 15 M10 O13 O13 O -2 1 N N N N N N 60.009 35.226 42.962 59.900 34.913 42.746 O13 M10 16 # 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 M10 MO1 O1 SING N N 1 Y N M10 MO1 O7 SING N N 2 Y N M10 O5 MO1 SING N N 3 Y N M10 MO2 O2 SING N N 4 Y N M10 MO2 O4 SING N N 5 Y N M10 MO2 O10 SING N N 6 Y N M10 O6 MO1 SING N N 7 Y N M10 O6 MO2 SING N N 8 Y N M10 MO3 O3 SING N N 9 Y N M10 MO3 O4 SING N N 10 Y N M10 MO3 O13 SING N N 11 Y N M10 O8 MO2 SING N N 12 Y N M10 O9 MO2 SING N N 13 Y N M10 O9 MO3 SING N N 14 Y N M10 O11 MO3 DOUB N N 15 Y N M10 O12 MO1 SING N N 16 Y N M10 O12 MO3 SING N N 17 Y N M10 O4 MO1 SING N N 18 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 M10 InChI InChI 1.03 InChI=1S/3Mo.13O/q;;;;;;;;8*-1 M10 InChIKey InChI 1.03 HGNGIYFURFJYFJ-UHFFFAOYSA-N M10 SMILES_CANONICAL CACTVS 3.370 "[O-][Mo]|12([O-])([O-])O[Mo]3([O-])([O-])([O-])O|1[Mo]([O-])([O-])(=O)(O2)O3" M10 SMILES CACTVS 3.370 "[O-][Mo]|12([O-])([O-])O[Mo]3([O-])([O-])([O-])O|1[Mo]([O-])([O-])(=O)(O2)O3" M10 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-]" M10 SMILES "OpenEye OEToolkits" 1.7.6 "[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-]" # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id M10 _pdbx_chem_comp_synonyms.name "Trimolybdate [Mo(VI)3O13]8-" _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 _pdbx_chem_comp_atom_coordination.representative_entry_id 1 M10 MO1 6 octahedral octahedral OCT MetalCoord 6RKE 2 M10 MO1 5 "square pyramid" "square pyramidal" SPY FindGeo 4NDP 3 M10 MO2 6 octahedral octahedral OCT MetalCoord 6RKE 4 M10 MO3 6 octahedral octahedral OCT MetalCoord 6RKE # 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 M10 MO1 "@OCT{Mo,N,O,O,O,O,O}" MetalCoord 6RKE 2 3 M10 MO2 "@OCT{Mo,N,O,O,O,O,O}" MetalCoord 6RKE 3 4 M10 MO3 "@OCT{Mo,N,O,O,O,O,O}" MetalCoord 6RKE # 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 M10 HIS None "Metal coordination" "Any position" MO1 NE2 ? ? "Amino-acid side chain" 2 M10 HIS None "Metal coordination" "Any position" MO2 NE2 ? ? "Amino-acid side chain" 3 M10 HIS None "Metal coordination" "Any position" MO3 NE2 ? ? "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 M10 "Create component" 2014-05-22 RCSB M10 "Initial release" 2014-08-13 RCSB M10 "Modify synonyms" 2021-03-01 PDBE M10 "Modify leaving atom flag" 2025-11-11 RCSB M10 "Other modification" 2026-07-17 RCSB M10 "Other modification" 2026-07-31 RCSB #