data_FEA # _chem_comp.id FEA _chem_comp.name MONOAZIDO-MU-OXO-DIIRON _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "Fe2 N3 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 169.709 _chem_comp.one_letter_code ? _chem_comp.three_letter_code FEA _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 ? _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 FEA FE1 FE1 FE ? 0 N N N N N N 3.686 20.551 17.734 -1.286 -2.551 0.628 FE1 FEA 1 FEA FE2 FE2 FE ? 0 N N N N N N 2.680 21.434 14.812 -0.001 0.109 -1.154 FE2 FEA 2 FEA O O O -2 1 N N N N N N 2.489 21.125 16.383 -0.325 -1.512 -0.469 O FEA 3 FEA NA NA N -1 1 N N N N N N 1.344 23.083 14.905 2.023 0.039 -0.433 NA FEA 4 FEA NB NB N 1 1 N N N N N N 0.666 23.304 15.825 3.087 0.001 -0.054 NB FEA 5 FEA NC NC N -1 1 N N N N N N 0.148 23.681 16.805 4.151 -0.036 0.325 NC FEA 6 # 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 FEA FE1 O SING N N 1 Y N FEA FE2 O SING N N 2 Y N FEA FE2 NA SING N N 3 Y N FEA NA NB DOUB N N 4 N N FEA NB NC DOUB N N 5 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 FEA SMILES_CANONICAL CACTVS 3.341 "[Fe]O[Fe]N=[N+]=[N-]" FEA SMILES CACTVS 3.341 "[Fe]O[Fe]N=[N+]=[N-]" FEA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "[N-]=[N+]=N[Fe]O[Fe]" FEA SMILES "OpenEye OEToolkits" 1.5.0 "[N-]=[N+]=N[Fe]O[Fe]" FEA InChI InChI 1.03 InChI=1S/2Fe.N3.O/c;;1-3-2;/q;+1;-1; FEA InChIKey InChI 1.03 GTUZFHRZTDZJHZ-UHFFFAOYSA-N # _pdbx_chem_comp_identifier.comp_id FEA _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 azidoferriooxyiron # 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 FEA FE1 6 octahedron octahedral OCT FindGeo 2AVK 1 FEA FE1 6 octahedral octahedral OCT MetalCoord 2AVK 2 FEA FE2 6 octahedron octahedral OCT FindGeo 2AVK 2 FEA FE2 6 octahedral octahedral OCT MetalCoord 2AVK # 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 FEA FE1 "@OCT{Fe,N,N,O,O,N,O}" MetalCoord 2AVK 2 2 FEA FE2 "@OCT{Fe,N,N,O,O,N,O}" MetalCoord 2AVK # 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 FEA ASP None "Metal coordination" "Any position" FE1 OD1 ? ? "Amino-acid side chain" 2 FEA ASP None "Metal coordination" "Any position" FE2 OD2 ? ? "Amino-acid side chain" 3 FEA GLU None "Metal coordination" "Any position" FE1 OE1 ? ? "Amino-acid side chain" 4 FEA GLU None "Metal coordination" "Any position" FE2 OE2 ? ? "Amino-acid side chain" 5 FEA HIS None "Metal coordination" "Any position" FE1 NE2 ? ? "Amino-acid side chain" 6 FEA HIS None "Metal coordination" "Any position" FE2 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 FEA "Create component" 1999-07-08 RCSB FEA "Modify descriptor" 2011-06-04 RCSB FEA "Other modification" 2026-07-17 RCSB FEA "Other modification" 2026-07-31 RCSB #