data_FCO # _chem_comp.id FCO _chem_comp.name "CARBONMONOXIDE-(DICYANO) IRON" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C3 Fe N2 O" _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 135.890 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ? _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag Y _chem_comp.pdbx_model_coordinates_db_code 1CC1 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI _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 FCO FE FE FE ? 0 N N N N N N 37.915 8.881 46.642 ? ? ? FE FCO 1 FCO C1 C1 C 0 1 N N N N N N 37.605 8.324 48.404 ? ? ? C1 FCO 2 FCO N1 N1 N 0 1 N N N N N N 37.561 7.902 49.504 ? ? ? N1 FCO 3 FCO C2 C2 C 0 1 N N N N N N 39.589 8.016 46.622 ? ? ? C2 FCO 4 FCO N2 N2 N 0 1 N N N N N N 40.563 7.357 46.576 ? ? ? N2 FCO 5 FCO C3 C3 C 0 1 N N N N N N 36.799 7.586 45.825 ? ? ? C3 FCO 6 FCO O3 O3 O 0 1 N N N N N N 36.116 6.653 45.546 ? ? ? O3 FCO 7 # 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 FCO FE C1 SING N N 1 Y N FCO FE C2 SING N N 2 Y N FCO FE C3 SING N N 3 Y N FCO C1 N1 TRIP N N 4 N N FCO C2 N2 TRIP N N 5 N N FCO C3 O3 TRIP N N 6 N 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 FCO SMILES ACDLabs 14.52 "N#C[Fe](C#N)C#O" FCO InChI InChI 1.06 InChI=1S/2CN.CO.Fe/c3*1-2; FCO InChIKey InChI 1.06 VBQUCMTXYFMTTE-UHFFFAOYSA-N FCO SMILES_CANONICAL CACTVS 3.385 "[C-]#[O+].N#C[Fe]C#N" FCO SMILES CACTVS 3.385 "[C-]#[O+].N#C[Fe]C#N" FCO SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "C(#N)[Fe](C#N)C#O" FCO SMILES "OpenEye OEToolkits" 3.1.0.0 "C(#N)[Fe](C#N)C#O" # 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 FCO "SYSTEMATIC NAME" ACDLabs 14.52 "(carbonyl-kappaC)bis(cyanido-kappaC)iron" FCO "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "dicyano($l^{3}-oxidanylidynemethyl)iron" # 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 FCO FE 6 octahedral octahedral OCT MetalCoord 6Z8M 1 FCO FE 6 octahedron octahedral OCT FindGeo 5JSY 2 FCO FE 5 "square pyramid" "square pyramidal" SPY FindGeo 5JSK 2 FCO FE 5 square-pyramid "square pyramidal" SQP MetalCoord 5JSK # 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 FCO FE "@OCT{Fe,C,C,S,S,C,S}" MetalCoord 6Z8M 2 1 FCO FE "@OCT{Fe,C,C,O,S,C,S}" MetalCoord 6FPO 3 2 FCO FE "@SQP{Fe,C,C,S,S,C}" MetalCoord 5JSK # 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 FCO CSO None "Metal coordination" "Any position" FE SG ? ? "Amino-acid side chain" 2 FCO CSO None "Metal coordination" "Any position" FE OD ? ? "Amino-acid side chain" 3 FCO CSS None "Metal coordination" "Any position" FE SD ? ? "Amino-acid side chain" 4 FCO CSX None "Metal coordination" "Any position" FE SG ? ? "Amino-acid side chain" 5 FCO CYS None "Metal coordination" "Any position" FE SG ? ? "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 FCO "Create component" 1999-07-08 EBI FCO "Modify descriptor" 2011-06-04 RCSB FCO "Other modification" 2026-05-06 RCSB FCO "Other modification" 2026-07-17 RCSB FCO "Other modification" 2026-07-31 RCSB #