Structure of PDB 8a6t Chain F Binding Site BS01

Receptor Information
>8a6t Chain F (length=151) Species: 2325 (Thermoanaerobacter kivui) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPRFEKVDEILSKLANERGALIAILQHVQHEFGYLPEDVIFYIASKTGIP
ASKIYGVATFYAQFHLKPRGKYVIRVCLGTACHVKGANKILAEFEKQLGI
KAGETTSDLKFTLERVGCLGACGLAPTVMVNEKTYGKMTPEKVSEVLKEY
S
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 chain8a6t Chain F 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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PDB8a6t Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		C87 G89 A91 C92 C128 L129 A131 C132
Binding residue
(residue number reindexed from 1)		C77 G79 A81 C82 C118 L119 A121 C122
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.1.3: hydrogen dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050583 hydrogen dehydrogenase (NADP+) activity
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8a6t, PDBe:8a6t, PDBj:8a6t
PDBsum8a6t
PubMed36811855
UniProtA0A097ATI0

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