Structure of PDB 8a5e Chain C Binding Site BS01

Receptor Information
>8a5e Chain C (length=156) Species: 931626 (Acetobacterium woodii DSM 1030) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAELIPVENLDVVKAIVAEHREVPGCLMQILQETQLKYGYLPLELQGTIA
DELGIPLTEVYGVATFYSQFTLKPKGKYKIGICLGTACYVRGSQAIIDKV
NSVLGTQVGDTTEDGKWSVDATRCVGACGLAPVMMINEEVFGRLTVDEIP
GILEKY
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8a5e Chain C Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		C83 G85 A87 C88 R123 C124 C128
Binding residue
(residue number reindexed from 1)		C83 G85 A87 C88 R123 C124 C128
Annotation score3
Enzymatic activity
Enzyme Commision number 1.12.7.2: ferredoxin hydrogenase.
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8a5e, PDBe:8a5e, PDBj:8a5e
PDBsum8a5e
PubMed36811855
UniProtH6LFG7

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