Structure of PDB 7p91 Chain B Binding Site BS02

Receptor Information
>7p91 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 chain7p91 Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p91 Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C578 C581 G582 C584 Y601 C618
Binding residue
(residue number reindexed from 1)		C567 C570 G571 C573 Y590 C607
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:7p91, PDBe:7p91, PDBj:7p91
PDBsum7p91
PubMed36018003
UniProtO52682|HYDB_THEMA Bifurcating [FeFe] hydrogenase beta subunit (Gene Name=hydB)

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