Structure of PDB 7q4v Chain B Binding Site BS01

Receptor Information
>7q4v Chain B (length=599) Species: 931626 (Acetobacterium woodii DSM 1030) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAYKRSQILICGGTGCTSSGSMVLVKELKKELVKHDILDEVEVVTTGCFG
LCELGPVVIVYPEGTFYSRVEAADIPEMVEEHLVKGRPLDRLIYNEKGDG
HHPLSINELGFFKKQRRIALANCGVINPENIDEYIGFDGYLALEKVLLTM
SPVDVINEVKASGLRGRGGGGFPTGLKWQFAHDAVSEDGIKYVACNADEG
DPGAFMDRSVLEGDPHAVIEAMAIAGYAVGASKGYVYVRAEYPIAVNRLQ
IAIDQAKEYGILGENIFETDFSFDLEIRLGAGAFVCGEETALMNSIEGKR
GEPRPRPPFPANKGLFGKPTVLNNVETYANIPKIILNGAEWFASVGTEKS
KGTKVFALGGKINNTGLLEIPMGTTLREIIYEIGGGIPNGKAFKAAQTGG
PSGGCLPESLLDTEIDYDNLIAAGSMMGSGGLIVMDEDNCMVDVARFFLD
FTQDESCGKCPPCRIGTKRMLEILERICDGKGVEGDIERLEELAVGIKSS
ALCGLGQTAPNPVLSTIRFFRDEYEAHIRDKKCPAGVCKHLLDFKINADT
CKGCGICAKKCPADAISGEKKKPYNIDTSKCIKCGACIEACPFGSISKA
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 chain7q4v Chain B Residue 601 [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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PDB7q4v Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
Resolution4.7 Å
Binding residue
(original residue number in PDB)		C11 C16 C48 F49 L51 C52
Binding residue
(residue number reindexed from 1)		C11 C16 C48 F49 L51 C52
Annotation score3
Enzymatic activity
Enzyme Commision number 1.12.7.2: ferredoxin hydrogenase.
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0008901 ferredoxin hydrogenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7q4v, PDBe:7q4v, PDBj:7q4v
PDBsum7q4v
PubMed36811855
UniProtH6LFG4

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