data_CFN # _chem_comp.id CFN _chem_comp.name "FE(7)-MO-S(9)-N CLUSTER" _chem_comp.type non-polymer _chem_comp.pdbx_type HETAIN _chem_comp.formula "Fe7 Mo N S9" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge ? _chem_comp.pdbx_initial_date 2002-07-23 _chem_comp.pdbx_modified_date 2026-09-16 _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 789.447 _chem_comp.one_letter_code ? _chem_comp.three_letter_code CFN _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 1M1N _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_n_terminal_atom_flag _chem_comp_atom.pdbx_backbone_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 CFN S3A S1 S -2 1 N N N N N N 61.562 9.507 -4.867 61.559 9.527 -4.865 S3A CFN 1 CFN FE4 FE1 FE ? 0 N N N N N N 62.198 8.226 -6.593 62.049 7.979 -6.579 FE4 CFN 2 CFN S1A S2 S -2 1 N N N N N N 64.314 7.375 -6.635 64.335 7.412 -6.602 S1A CFN 3 CFN S4A S3 S -2 1 N N N N N N 61.719 8.822 -8.753 61.678 8.908 -8.712 S4A CFN 4 CFN FE3 FE2 FE ? 0 N N N N N N 60.936 6.724 -8.366 61.004 6.735 -8.102 FE3 CFN 5 CFN S2A S4 S -2 1 N N N N N N 62.595 5.345 -9.036 62.597 5.344 -9.137 S2A CFN 6 CFN FE7 FE3 FE ? 0 N N N N N N 59.180 6.088 -6.578 59.494 6.168 -6.598 FE7 CFN 7 CFN S4B S5 S -2 1 N N N N N N 58.208 7.536 -5.218 58.203 7.597 -5.255 S4B CFN 8 CFN MO1 MO1 MO ? 0 N N N N N N 58.687 5.621 -3.979 58.482 5.573 -3.792 MO1 CFN 9 CFN S1B S6 S -2 1 N N N N N N 60.823 6.084 -3.144 60.853 6.106 -3.151 S1B CFN 10 CFN FE6 FE4 FE ? 0 N N N N N N 61.041 5.027 -5.096 61.087 5.271 -5.334 FE6 CFN 11 CFN FE2 FE5 FE ? 0 N N N N N N 62.847 5.664 -6.826 62.600 5.837 -6.834 FE2 CFN 12 CFN FE1 FE6 FE ? 0 N N N N N N 63.492 7.399 -8.754 63.431 7.427 -8.710 FE1 CFN 13 CFN FE5 FE7 FE ? 0 N N N N N N 60.411 7.572 -4.800 60.537 7.409 -5.079 FE5 CFN 14 CFN S2B S7 S -2 1 N N N N N N 62.853 3.909 -5.490 63.004 3.907 -5.535 S2B CFN 15 CFN S3B S8 S -2 1 N N N N N N 59.146 4.024 -5.663 59.117 4.040 -5.679 S3B CFN 16 CFN S5A S9 S -2 1 N N N N N N 58.805 6.257 -8.746 58.818 6.263 -8.859 S5A CFN 17 CFN NX N1 N -3 1 N N N N N N 61.127 6.641 -6.387 61.130 6.567 -6.422 NX CFN 18 # 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 CFN S3A FE4 SING N N 1 Y N CFN S3A FE5 SING N N 2 Y N CFN FE4 S1A SING N N 3 Y N CFN FE4 S4A SING N N 4 Y N CFN FE4 NX SING N N 5 Y N CFN S1A FE2 SING N N 6 Y N CFN S1A FE1 SING N N 7 Y N CFN S4A FE3 SING N N 8 Y N CFN S4A FE1 SING N N 9 Y N CFN FE3 S2A SING N N 10 Y N CFN FE3 S5A SING N N 11 Y N CFN FE3 NX SING N N 12 Y N CFN S2A FE2 SING N N 13 Y N CFN S2A FE1 SING N N 14 Y N CFN FE7 S4B SING N N 15 Y N CFN FE7 S3B SING N N 16 Y N CFN FE7 S5A SING N N 17 Y N CFN FE7 NX SING N N 18 Y N CFN S4B MO1 SING N N 19 Y N CFN S4B FE5 SING N N 20 Y N CFN MO1 S1B SING N N 21 Y N CFN MO1 S3B SING N N 22 Y N CFN S1B FE6 SING N N 23 Y N CFN S1B FE5 SING N N 24 Y N CFN FE6 S2B SING N N 25 Y N CFN FE6 S3B SING N N 26 Y N CFN FE6 NX SING N N 27 Y N CFN FE2 S2B SING N N 28 Y N CFN FE2 NX SING N N 29 Y N CFN FE5 NX SING N N 30 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 CFN InChI InChI 1.06 InChI=1S/7Fe.Mo.N.9S CFN InChIKey InChI 1.06 OSSJGSCTDHHOOW-UHFFFAOYSA-N CFN SMILES_CANONICAL CACTVS 3.385 "[N-5].S1[Fe]S[Mo]S[Fe]2S[Fe]S[Fe]S[Fe](S[Fe]1)S[Fe]S2" CFN SMILES CACTVS 3.385 "[N-5].S1[Fe]S[Mo]S[Fe]2S[Fe]S[Fe]S[Fe](S[Fe]1)S[Fe]S2" CFN SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12" CFN SMILES "OpenEye OEToolkits" 3.1.0.0 "N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12" # _pdbx_chem_comp_identifier.comp_id CFN _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program "OpenEye OEToolkits" _pdbx_chem_comp_identifier.program_version 3.1.0.0 _pdbx_chem_comp_identifier.identifier "4,6$l^{3},8$l^{3},10$l^{3},12,14$l^{3},16$l^{3},17,18$l^{3}-nonathia-2$l^{6}-aza-1$l^{4},3$l^{4},5$l^{4},7$l^{3},9$l^{4},11$l^{4},13$l^{4}-heptaferra-15$l^{3}-molybdatridecacyclo[7.7.1.1^{1,3}.0^{2,5}.0^{2,9}.0^{2,11}.0^{2,13}.0^{3,14}.0^{5,8}.0^{6,11}.0^{7,10}.0^{13,16}.0^{15,18}]octadecane" # 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 CFN FE1 4 tetrahedron tetrahedral TET FindGeo 1 CFN FE1 4 tetrahedral tetrahedral TET MetalCoord 2 CFN FE2 4 tetrahedron tetrahedral TET FindGeo 2 CFN FE2 4 tetrahedral tetrahedral TET MetalCoord 3 CFN FE3 4 tetrahedron tetrahedral TET FindGeo 3 CFN FE3 4 tetrahedral tetrahedral TET MetalCoord 4 CFN FE3 4 trigonal-pyramid "trigonal pyramidal" TPY MetalCoord 5 CFN FE4 4 tetrahedron tetrahedral TET FindGeo 5 CFN FE4 4 tetrahedral tetrahedral TET MetalCoord 6 CFN FE4 4 trigonal-pyramid "trigonal pyramidal" TPY MetalCoord 7 CFN FE5 4 tetrahedron tetrahedral TET FindGeo 7 CFN FE5 4 tetrahedral tetrahedral TET MetalCoord 8 CFN FE5 4 trigonal-pyramid "trigonal pyramidal" TPY MetalCoord 9 CFN FE6 4 tetrahedron tetrahedral TET FindGeo 9 CFN FE6 4 tetrahedral tetrahedral TET MetalCoord 10 CFN FE7 4 tetrahedron tetrahedral TET FindGeo 10 CFN FE7 4 tetrahedral tetrahedral TET MetalCoord 11 CFN FE7 4 trigonal-pyramid "trigonal pyramidal" TPY MetalCoord 12 CFN MO1 6 octahedral octahedral OCT MetalCoord 12 CFN 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 CFN FE1 "@TET{Fe,S,S,S,S}" MetalCoord 2 10 CFN FE7 "@TET{Fe,N,S,S,S}" MetalCoord 3 11 CFN FE7 "@TPY{Fe,S,S,S,N}" MetalCoord 4 12 CFN MO1 "@OCT{Mo,N,O,S,S,O,S}" MetalCoord 5 2 CFN FE2 "@TET{Fe,N,S,S,S}" MetalCoord 6 3 CFN FE3 "@TET{Fe,N,S,S,S}" MetalCoord 7 4 CFN FE3 "@TPY{Fe,S,S,S,N}" MetalCoord 8 5 CFN FE4 "@TET{Fe,N,S,S,S}" MetalCoord 9 6 CFN FE4 "@TPY{Fe,S,S,S,N}" MetalCoord 10 7 CFN FE5 "@TET{Fe,N,S,S,S}" MetalCoord 11 8 CFN FE5 "@TPY{Fe,S,S,S,N}" MetalCoord 12 9 CFN FE6 "@TET{Fe,N,S,S,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 CFN CYS None "Metal coordination" "Any position" FE1 SG ? ? "Amino-acid side chain" 2 CFN 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 CFN "Create component" 2002-07-23 RCSB CFN "Other modification" 2018-02-19 RCSB CFN "Other modification" 2025-11-10 RCSB CFN "Other modification" 2026-07-17 RCSB CFN "Other modification" 2026-07-31 RCSB CFN "Other modification" 2026-09-01 RCSB CFN "Other modification" 2026-09-16 RCSB #