Structure of PDB 8a5e Chain D Binding Site BS05

Receptor Information
>8a5e Chain D (length=583) Species: 931626 (Acetobacterium woodii DSM 1030) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKEITFKINGQEMIVPEGTTILEAARMNNIDIPTLCYLKDINEIGACRMC
LVEIAGARALQAACVYPVANGIEVLTNSPKVREARRVNLELILSNHNREC
TTCIRSENCELQTLATDLGVSDIPFEGEKSGKLIDDLSTSVVRDESKCIL
CKRCVSVCRDVQSVAVLGTVGRGFTSQVQPVFNKSLADVGCINCGQCIIN
CPVGALKEKSDIQRVWDAIADPSKTVIVQTAPAVRAALGEEFGYPMGTSV
TGKMAAALRRLGFDKVFDTDFGADVCIMEEGTELIGRVTNGGVLPMITSC
SPGWIKFIETYYPEAIPHLSSCKSPQNITGALLKNHYAQTNNIDPKDMVV
VSIMPCTAKKYEVQREELCTDGNADVDISITTRELARMIKEARILFNKLP
DEDFDDYYGESTGAAVIFGATGGVMEAAVRTVADVLNKKDIQEIDYQIVR
GVDGIKKASVEVTPDLTVNLVVAHGGANIREVMEQLKAGELADTHFIELM
ACPGGCVNGGGQPIVSAKDKMDIDIRTERAKALYDEDANVLTYRKSHQNP
SVIRLYEEYLEEPNSPKAHHILHTKYSAKPKLV
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8a5e Chain D Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a5e Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		S301 C356 A501 C502 C506
Binding residue
(residue number reindexed from 1)		S301 C356 A501 C502 C506
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.7.2: ferredoxin hydrogenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0008901 ferredoxin hydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042773 ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8a5e, PDBe:8a5e, PDBj:8a5e
PDBsum8a5e
PubMed36811855
UniProtH6LFG3

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