Structure of PDB 7p8n Chain B Binding Site BS01

Receptor Information
>7p8n Chain B (length=613) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFKNAKEFVQYANKLKTLREKKLNGVSIYVCVGTGCTAKGALKVYSAFEE
ELKKRNLLKVTLNRTGCCGRCSSGPLVKIMPYRFFYSNVAPEDVPEIVDR
TVLKGEPIERLFLTDPLTGEKVPRIEDTTLFKNQDFYIMEAIGESECDSI
EDYIARSGYESLVKALTSMTPEEIIETVKASGLRGRGGGGFPTGLKWEFT
RKAQGDIKFVVCNGDEGDPGAFMNRTLLERDPHLVLEGMIIAGYAVGAQK
GYAYIRAEYPFAVKMFKKAIEDARKLGLLGENILGTGFSFDLEVKEGAGA
FVCGEETALLASIEGKRGMPRPKPPFPAQSGLWGKPTLINNVETYANIPR
ILRDGVENYRKRGTENSPGTKMFSVAGPLKATGIIEVEFGTTLRDIIYNI
CGGFVEGEEFKAVQIGGPSGACLSEDFIDMPLDYDTLKKADAMVGSGGIV
VITKKTCMVEVARFFLDFTKRESCGKCVPCREGTMQAYNILEKFTHGKAT
YEDLKTLEHLSKTIKTASLCGLGKTAPNPILSTLKLFREEYIAHIEGECP
SGMCTAFKKYVINPDICKGCGLCARSCPQNAITGERGKPYTIDQEKCVKC
GLCASKCPFKAIE
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 chain7p8n Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p8n Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y571 C588 I603 C608 K610 C611 G612 C614
Binding residue
(residue number reindexed from 1)		Y560 C577 I592 C597 K599 C600 G601 C603
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.1.4: hydrogenase (NAD(+), ferredoxin).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) 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
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7p8n, PDBe:7p8n, PDBj:7p8n
PDBsum7p8n
PubMed36018003
UniProtO52682|HYDB_THEMA Bifurcating [FeFe] hydrogenase beta subunit (Gene Name=hydB)

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