data_FEO # _chem_comp.id FEO _chem_comp.name MU-OXO-DIIRON _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "Fe2 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 F2O _chem_comp.formula_weight 127.689 _chem_comp.one_letter_code ? _chem_comp.three_letter_code FEO _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 1HMO _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI _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 FEO FE1 FE1 FE ? 0 N N N N N N 30.450 26.873 31.223 30.464 26.859 31.240 FE1 FEO 1 FEO FE2 FE2 FE ? 0 N N N N N N 29.315 27.022 34.275 30.203 26.935 34.242 FE2 FEO 2 FEO O O O -2 1 N N N N N N 29.273 27.390 32.548 29.334 27.390 32.522 O FEO 3 # 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 FEO FE1 O SING N N 1 Y N FEO FE2 O SING N N 2 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 FEO SMILES_CANONICAL CACTVS 3.341 "[Fe]O[Fe]" FEO SMILES CACTVS 3.341 "[Fe]O[Fe]" FEO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "O([Fe])[Fe]" FEO SMILES "OpenEye OEToolkits" 1.5.0 "O([Fe])[Fe]" FEO InChI InChI 1.03 InChI=1S/2Fe.O FEO InChIKey InChI 1.03 NPMYUMBHPJGBFA-UHFFFAOYSA-N # _pdbx_chem_comp_identifier.comp_id FEO _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program "OpenEye OEToolkits" _pdbx_chem_comp_identifier.program_version 1.5.0 _pdbx_chem_comp_identifier.identifier ferriooxyiron # 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 FEO FE1 6 octahedron octahedral OCT FindGeo 4A9V 1 FEO FE1 6 octahedral octahedral OCT MetalCoord 4A9V 2 FEO FE1 5 "square pyramid" "square pyramidal" SPY FindGeo 1VME 2 FEO FE1 5 square-pyramid "square pyramidal" SQP MetalCoord 1VME 3 FEO FE2 6 octahedral octahedral OCT MetalCoord 4A9V 3 FEO FE2 6 octahedron octahedral OCT FindGeo 4ALF 4 FEO FE2 5 "square pyramid" "square pyramidal" SPY FindGeo 6ZLF 4 FEO FE2 5 square-pyramid "square pyramidal" SQP MetalCoord 7R2O 5 FEO FE2 5 "trigonal bipyramid" "trigonal bipyramidal" TBP FindGeo 4A9V 5 FEO FE2 5 trigonal-bipyramid "trigonal bipyramidal" TBP MetalCoord 2HMQ # 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 FEO FE1 "@OCT{Fe,O,O,O,O,O,S}" MetalCoord 4A9V 2 1 FEO FE1 "@OCT{Fe,N,N,O,O,N,O}" MetalCoord 2MHR 3 1 FEO FE1 "@OCT{Fe,N,N,O,O,O,O}" MetalCoord 5V8S 4 1 FEO FE1 "@OCT{Fe,N,O,O,O,O,O}" MetalCoord 1UTE 5 2 FEO FE1 "@SQP{Fe,N,O,O,O,N}" MetalCoord 1VME 6 2 FEO FE1 "@SQP{Fe,O,O,O,O,N}" MetalCoord 3CHH 7 3 FEO FE2 "@OCT{Fe,O,O,O,O,O,O}" MetalCoord 4A9V 8 3 FEO FE2 "@OCT{Fe,N,N,O,O,N,O}" MetalCoord 2MHR 9 3 FEO FE2 "@OCT{Fe,N,O,O,O,O,O}" MetalCoord 5V8S 10 3 FEO FE2 "@OCT{Fe,N,N,O,O,O,O}" MetalCoord 1UTE 11 3 FEO FE2 "@OCT{Fe,Cl,N,O,O,N,O}" MetalCoord 1I4Y 12 4 FEO FE2 "@SQP{Fe,N,O,O,O,N}" MetalCoord 7R2O 13 4 FEO FE2 "@SQP{Fe,O,O,O,O,N}" MetalCoord 5CI1 14 4 FEO FE2 "@SQP{Fe,N,N,O,O,O}" MetalCoord 1I4Z 15 5 FEO FE2 "@TBP{Fe,N,O,O,N,O}" MetalCoord 2HMQ 16 5 FEO FE2 "@TBP{Fe,N,N,O,O,O}" MetalCoord 1YCH # 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 FEO ASN None "Metal coordination" "Any position" FE2 OD1 ? ? "Amino-acid side chain" 2 FEO ASP None "Metal coordination" "Any position" FE1 OD1 ? ? "Amino-acid side chain" 3 FEO ASP None "Metal coordination" "Any position" FE1 OD2 ? ? "Amino-acid side chain" 4 FEO ASP None "Metal coordination" "Any position" FE2 OD2 ? ? "Amino-acid side chain" 5 FEO ASP None "Metal coordination" "Any position" FE2 OD1 ? ? "Amino-acid side chain" 6 FEO CYS None "Metal coordination" "Any position" FE1 SG ? ? "Amino-acid side chain" 7 FEO GLU None "Metal coordination" "Any position" FE1 OE2 ? ? "Amino-acid side chain" 8 FEO GLU None "Metal coordination" "Any position" FE1 OE1 ? ? "Amino-acid side chain" 9 FEO GLU None "Metal coordination" "Any position" FE2 OE2 ? ? "Amino-acid side chain" 10 FEO GLU None "Metal coordination" "Any position" FE2 OE1 ? ? "Amino-acid side chain" 11 FEO HIS None "Metal coordination" "Any position" FE1 NE2 ? ? "Amino-acid side chain" 12 FEO HIS None "Metal coordination" "Any position" FE1 ND1 ? ? "Amino-acid side chain" 13 FEO HIS None "Metal coordination" "Any position" FE2 NE2 ? ? "Amino-acid side chain" 14 FEO HIS None "Metal coordination" "Any position" FE2 ND1 ? ? "Amino-acid side chain" 15 FEO TYR None "Metal coordination" "Any position" FE1 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 FEO "Create component" 1999-07-08 EBI FEO "Modify descriptor" 2011-06-04 RCSB FEO "Other modification" 2026-07-17 RCSB FEO "Other modification" 2026-07-31 RCSB #