data_CFM # _chem_comp.id CFM _chem_comp.name "FE-MO-S CLUSTER" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "Fe7 Mo S9" _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 2026-09-16 _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 775.440 _chem_comp.one_letter_code ? _chem_comp.three_letter_code CFM _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 1QH8 _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 CFM FE1 FE1 FE ? 0 N N N N N N 98.001 -26.535 45.807 97.896 -26.488 45.630 FE1 CFM 1 CFM FE2 FE2 FE ? 0 N N N N N N 98.030 -25.022 43.664 98.337 -24.938 43.657 FE2 CFM 2 CFM FE3 FE3 FE ? 0 N N N N N N 95.894 -25.046 45.327 95.839 -24.985 45.643 FE3 CFM 3 CFM FE4 FE4 FE ? 0 N N N N N N 96.413 -27.180 43.799 96.454 -27.510 43.792 FE4 CFM 4 CFM FE5 FE5 FE ? 0 N N N N N N 94.937 -26.169 41.906 94.932 -26.485 41.901 FE5 CFM 5 CFM FE6 FE6 FE ? 0 N N N N N N 96.511 -24.014 41.831 96.812 -23.917 41.766 FE6 CFM 6 CFM FE7 FE7 FE ? 0 N N N N N N 94.420 -24.066 43.420 94.318 -23.964 43.750 FE7 CFM 7 CFM MO1 MO1 MO ? 0 N N N N N N 94.034 -23.875 40.793 94.059 -23.923 40.864 MO1 CFM 8 CFM S1A S1A S -2 1 N N N N N N 98.674 -27.188 43.732 98.697 -27.183 43.574 S1A CFM 9 CFM S4A S4A S -2 1 N N N N N N 95.858 -27.131 46.008 95.730 -27.239 45.933 S4A CFM 10 CFM S3A S3A S -2 1 N N N N N N 95.286 -28.364 42.276 95.251 -28.773 42.248 S3A CFM 11 CFM S2A S2A S -2 1 N N N N N N 97.943 -24.367 45.730 97.968 -24.191 45.774 S2A CFM 12 CFM S1B S1B S -2 1 N N N N N N 95.779 -25.238 40.017 96.046 -25.411 40.260 S1B CFM 13 CFM S2B S2B S -2 1 N N N N N N 98.609 -23.670 42.057 99.104 -23.517 41.978 S2B CFM 14 CFM S3B S3B S -2 1 N N N N N N 95.088 -22.325 42.191 95.313 -22.390 42.478 S3B CFM 15 CFM S4B S4B S -2 1 N N N N N N 92.941 -25.242 42.314 93.058 -25.467 42.636 S4B CFM 16 CFM S5 S5 S -2 1 N N N N N N 94.112 -23.751 45.541 93.999 -23.613 46.037 S5 CFM 17 # 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 CFM FE1 S1A SING N N 1 Y N CFM FE1 S4A SING N N 2 Y N CFM FE1 S2A SING N N 3 Y N CFM FE2 S1A SING N N 4 Y N CFM FE2 S2A SING N N 5 Y N CFM FE2 S2B SING N N 6 Y N CFM FE3 S4A SING N N 7 Y N CFM FE3 S2A SING N N 8 Y N CFM FE3 S5 SING N N 9 Y N CFM FE4 S1A SING N N 10 Y N CFM FE4 S4A SING N N 11 Y N CFM FE4 S3A SING N N 12 Y N CFM FE5 S3A SING N N 13 Y N CFM FE5 S1B SING N N 14 Y N CFM FE5 S4B SING N N 15 Y N CFM FE6 S1B SING N N 16 Y N CFM FE6 S2B SING N N 17 Y N CFM FE6 S3B SING N N 18 Y N CFM FE7 S3B SING N N 19 Y N CFM FE7 S4B SING N N 20 Y N CFM FE7 S5 SING N N 21 Y N CFM MO1 S1B SING N N 22 Y N CFM MO1 S3B SING N N 23 Y N CFM MO1 S4B SING N N 24 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 CFM InChI InChI 1.06 InChI=1S/7Fe.Mo.9S CFM InChIKey InChI 1.06 UZRXIPMKRKMLQF-UHFFFAOYSA-N CFM SMILES_CANONICAL CACTVS 3.385 "S1[Fe]S[Fe]S[Mo]2S[Fe]S[Fe]S[Fe](S[Fe]1)S[Fe]S2" CFM SMILES CACTVS 3.385 "S1[Fe]S[Fe]S[Mo]2S[Fe]S[Fe]S[Fe](S[Fe]1)S[Fe]S2" CFM SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48" CFM SMILES "OpenEye OEToolkits" 2.0.7 "S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48" # 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 1 CFM FE1 4 tetrahedron tetrahedral TET FindGeo 1 CFM FE1 4 tetrahedral tetrahedral TET MetalCoord 2 CFM MO1 6 octahedral octahedral OCT MetalCoord 2 CFM MO1 6 octahedron octahedral OCT FindGeo # 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 1 1 CFM FE1 "@TET{Fe,S,S,S,S}" MetalCoord 2 2 CFM MO1 "@OCT{Mo,N,O,S,S,O,S}" MetalCoord # 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 CFM CYS None "Metal coordination" "Any position" FE1 SG ? ? "Amino-acid side chain" 2 CFM HIS None "Metal coordination" "Any position" MO1 ND1 ? ? "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 CFM "Create component" 1999-07-08 RCSB CFM "Modify descriptor" 2023-09-23 RCSB CFM "Other modification" 2026-07-17 RCSB CFM "Other modification" 2026-07-31 RCSB CFM "Other modification" 2026-09-16 RCSB #