Structure of PDB 7q4w Chain F Binding Site BS05

Receptor Information
>7q4w 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 chain7q4w Chain F Residue 605 [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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PDB7q4w Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
Resolution3.78 Å
Binding residue
(original residue number in PDB)		C551 G553 C554 G555 I556 C557 C591 P592 I596
Binding residue
(residue number reindexed from 1)		C422 G424 C425 G426 I427 C428 C462 P463 I467
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.7.2: ferredoxin hydrogenase.
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:7q4w, PDBe:7q4w, PDBj:7q4w
PDBsum7q4w
PubMed36811855
UniProtH6LFG4

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