Structure of PDB 7q4v Chain F Binding Site BS01

Receptor Information
>7q4v Chain F (length=470) Species: 931626 (Acetobacterium woodii DSM 1030) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIDEYIGFDGYLALEKVLLTMSPVDVINEVKASGLRGRGGGGFPTGLKWQ
FAHDAVSEDGIKYVACNADEGDPGAFMDRSVLEGDPHAVIEAMAIAGYAV
GASKGYVYVRAEYPIAVNRLQIAIDQAKEYGILGENIFETDFSFDLEIRL
GAGAFVCGEETALMNSIEGKRGEPRPRPPFPANKGLFGKPTVLNNVETYA
NIPKIILNGAEWFASVGTEKSKGTKVFALGGKINNTGLLEIPMGTTLREI
IYEIGGGIPNGKAFKAAQTGGPSGGCLPESLLDTEIDYDNLIAAGSMMGS
GGLIVMDEDNCMVDVARFFLDFTQDESCGKCPPCRIGTKRMLEILERICD
GKGVEGDIERLEELAVGIKSSALCGLGQTAPNPVLSTIRFFRDEYEAHIR
DKKCPAGVCKHLLDFKINADTCKGCGICAKKCPADAISGEKKKPYNIDTS
KCIKCGACIEACPFGSISKA
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 chain7q4v Chain F 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)		F544 C561 P562 I566 C581 K583 C584 G585 A586 C587
Binding residue
(residue number reindexed from 1)		F415 C432 P433 I437 C452 K454 C455 G456 A457 C458
Annotation score1
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

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

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