Structure of PDB 7p91 Chain b Binding Site BS04

Receptor Information
>7p91 Chain b (length=560) 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
SGMCTAFKKY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7p91 Chain b Residue 704 [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)		C468 H555 C560 C565
Binding residue
(residue number reindexed from 1)		C457 H544 C549 C554
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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