data_CLP # _chem_comp.id CLP _chem_comp.name "FE-S CLUSTER" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "Fe8 S8" _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 703.280 _chem_comp.one_letter_code ? _chem_comp.three_letter_code CLP _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 1MIO _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 CLP FE1 FE1 FE ? 0 N N N N N N -20.516 12.112 11.476 1.685 1.544 2.181 FE1 CLP 1 CLP FE2 FE2 FE ? 0 N N N N N N -19.339 10.060 12.678 2.819 -0.717 1.816 FE2 CLP 2 CLP FE3 FE3 FE ? 0 N N N N N N -18.315 12.664 12.869 1.534 -0.445 0.516 FE3 CLP 3 CLP FE4 FE4 FE ? 0 N N N N N N -20.502 12.189 14.259 0.995 -2.511 1.985 FE4 CLP 4 CLP S1A S1A S -1 1 N N N N N N -21.526 10.684 12.890 0.382 -0.320 2.105 S1A CLP 5 CLP S2A S2A S -2 1 N N N N N N -18.412 11.297 11.022 3.200 1.124 0.536 S2A CLP 6 CLP S4A S4A S -2 1 N N N N N N -18.487 11.077 14.562 2.601 -2.464 0.361 S4A CLP 7 CLP S3A S3A S -2 1 N N N N N N -20.214 13.983 12.833 1.104 -0.492 2.963 S3A CLP 8 CLP FE5 FE5 FE ? 0 N N N N N N -21.852 9.958 16.407 -2.797 0.937 0.374 FE5 CLP 9 CLP FE6 FE6 FE ? 0 N N N N N N -23.653 7.694 15.650 -0.126 1.026 -1.473 FE6 CLP 10 CLP FE7 FE7 FE ? 0 N N N N N N -21.437 7.316 17.166 -2.519 0.369 -2.177 FE7 CLP 11 CLP FE8 FE8 FE ? 0 N N N N N N -21.029 7.853 14.405 -1.738 -1.708 -0.771 FE8 CLP 12 CLP S1B S1B S -1 1 N N N N N N -22.792 9.349 14.317 -0.764 -0.041 0.397 S1B CLP 13 CLP S2B S2B S -2 1 N N N N N N -23.257 8.673 17.690 -2.005 2.379 -1.199 S2B CLP 14 CLP S3B S3B S -2 1 N N N N N N -22.075 6.051 15.309 -0.688 -0.920 -2.629 S3B CLP 15 CLP S4B S4B S -2 1 N N N N N N -19.848 8.744 16.283 -3.834 -0.789 -0.716 S4B CLP 16 # 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 CLP FE1 S1A SING N N 1 Y N CLP FE1 S2A SING N N 2 Y N CLP FE1 S3A SING N N 3 Y N CLP FE2 S1A SING N N 4 Y N CLP FE2 S2A SING N N 5 Y N CLP FE2 S4A SING N N 6 Y N CLP FE3 S2A SING N N 7 Y N CLP FE3 S4A SING N N 8 Y N CLP FE3 S3A SING N N 9 Y N CLP FE4 S1A SING N N 10 Y N CLP FE4 S4A SING N N 11 Y N CLP FE4 S3A SING N N 12 Y N CLP S1A S1B SING N N 13 N N CLP FE5 S1B SING N N 14 Y N CLP FE5 S2B SING N N 15 Y N CLP FE5 S4B SING N N 16 Y N CLP FE6 S1B SING N N 17 Y N CLP FE6 S2B SING N N 18 Y N CLP FE6 S3B SING N N 19 Y N CLP FE7 S2B SING N N 20 Y N CLP FE7 S3B SING N N 21 Y N CLP FE7 S4B SING N N 22 Y N CLP FE8 S1B SING N N 23 Y N CLP FE8 S3B SING N N 24 Y N CLP FE8 S4B SING N N 25 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 CLP InChI InChI 1.06 InChI=1S/8Fe.S2.6S/c;;;;;;;;1-2;;;;;; CLP InChIKey InChI 1.06 MJXAKWFPOPRKKV-UHFFFAOYSA-N CLP SMILES_CANONICAL CACTVS 3.385 "S1[Fe]S[Fe]2S[Fe][S]2([Fe]1)[S]34[Fe]S[Fe]S[Fe]3S[Fe]4" CLP SMILES CACTVS 3.385 "S1[Fe]S[Fe]2S[Fe][S]2([Fe]1)[S]34[Fe]S[Fe]S[Fe]3S[Fe]4" CLP SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71" CLP SMILES "OpenEye OEToolkits" 2.0.7 "[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71" # 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 CLP FE1 4 tetrahedron tetrahedral TET FindGeo 1 CLP FE1 4 tetrahedral tetrahedral TET MetalCoord 2 CLP FE1 4 trigonal-pyramid "trigonal pyramidal" TPY MetalCoord 3 CLP FE2 4 tetrahedron tetrahedral TET FindGeo 3 CLP FE2 4 tetrahedral tetrahedral TET MetalCoord 4 CLP FE3 4 tetrahedron tetrahedral TET FindGeo 4 CLP FE3 4 tetrahedral tetrahedral TET MetalCoord 5 CLP FE4 4 tetrahedral tetrahedral TET MetalCoord 5 CLP FE4 4 tetrahedron tetrahedral TET FindGeo 6 CLP FE5 4 tetrahedral tetrahedral TET MetalCoord 7 CLP FE5 5 trigonal-bipyramid "trigonal bipyramidal" TBP MetalCoord 8 CLP FE6 5 trigonal-bipyramid "trigonal bipyramidal" TBP MetalCoord 9 CLP FE6 4 trigonal-pyramid "trigonal pyramidal" TPY MetalCoord 10 CLP FE7 4 tetrahedron tetrahedral TET FindGeo 10 CLP FE7 4 tetrahedral tetrahedral TET MetalCoord 11 CLP FE8 4 tetrahedral tetrahedral TET MetalCoord 11 CLP FE8 4 tetrahedron tetrahedral TET 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 CLP FE1 "@TET{Fe,S,S,S,S}" MetalCoord 2 10 CLP FE7 "@TET{Fe,S,S,S,S}" MetalCoord 3 11 CLP FE8 "@TET{Fe,S,S,S,S}" MetalCoord 4 2 CLP FE1 "@TPY{Fe,S,S,S,S}" MetalCoord 5 3 CLP FE2 "@TET{Fe,S,S,S,S}" MetalCoord 6 4 CLP FE3 "@TET{Fe,S,S,S,S}" MetalCoord 7 5 CLP FE4 "@TET{Fe,S,S,S,S}" MetalCoord 8 6 CLP FE5 "@TET{Fe,S,S,S,S}" MetalCoord 9 7 CLP FE5 "@TBP{Fe,S,S,S,N,S}" MetalCoord 10 8 CLP FE6 "@TBP{Fe,S,S,S,O,S}" MetalCoord 11 9 CLP FE6 "@TPY{Fe,S,S,S,O}" 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 CLP CYS None "Metal coordination" "Any position" FE1 SG ? ? "Amino-acid side chain" 2 CLP CYS None "Metal coordination" "Any position" FE2 SG ? ? "Amino-acid side chain" 3 CLP CYS None "Metal coordination" "Any position" FE3 SG ? ? "Amino-acid side chain" 4 CLP CYS None "Metal coordination" "Any position" FE4 SG ? ? "Amino-acid side chain" 5 CLP CYS None "Metal coordination" "Any position" FE5 SG ? ? "Amino-acid side chain" 6 CLP CYS None "Metal coordination" "Any position" FE6 SG ? ? "Amino-acid side chain" 7 CLP CYS None "Metal coordination" "Any position" FE7 SG ? ? "Amino-acid side chain" 8 CLP CYS None "Metal coordination" "Any position" FE8 SG ? ? "Amino-acid side chain" 9 CLP CYS None "Metal coordination" "Any position" FE5 N ? ? "Amino-acid backbone" 10 CLP SER None "Metal coordination" "Any position" FE6 OG ? ? "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 CLP "Create component" 1999-07-08 RCSB CLP "Modify descriptor" 2023-09-23 RCSB CLP "Other modification" 2026-07-17 RCSB CLP "Other modification" 2026-07-31 RCSB CLP "Other modification" 2026-09-01 RCSB CLP "Other modification" 2026-09-16 RCSB #