Structure of PDB 7p5h Chain E Binding Site BS04

Receptor Information
>7p5h Chain E (length=555) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFKNAKEFVQYANKLKTLREKKLNGVSIYVCVGTGCTAKGALKVYSAFEE
ELKKRNLKVTLNRTGCCGRCSSGPLVKIMPYRFFYSNVAPEDVPEIVDRT
VLKGEPIERLFLTDPLTGEKVPRIEDTTLFKNQDFYIMEAIGESECDSIE
DYIARSGYESLVKALTSMTPEEIIETVKASGLRGRGGGGFPTGLKWEFTR
KAQGDIKFVVCNGDEGDPGAFMNRTLLERDPHLVLEGMIIAGYAVGAQKG
YAYIRAEYPFAVKMFKKAIEDARKLGLLGENILGTGFSFDLEVKEGAGAF
VCGEETALLASIEGKRGMPRPKPPFPAQSGLWGKPTLINNVETYANIPRI
LRDGVENYRKRGTENSPGTKMFSVAGPLKATGIIEVEFGTTLRDIIYNIC
GGFVEGEEFKAVQIGGPSGACLSEDFIDMPLDYDTLKKADAMVGSGGIVV
ITKKTCMVEVARFFLDFTKRESCGKCVPCREGTMQAYNILEKFTHGKATY
EDLKTLEHLSKTIKTASLCGLGKTAPNPILSTLKLFREEYIAHIEGECPS
GMCTA
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 chain7p5h Chain E Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p5h Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C468 H555 C565
Binding residue
(residue number reindexed from 1)		C456 H543 C553
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:7p5h, PDBe:7p5h, PDBj:7p5h
PDBsum7p5h
PubMed36018003
UniProtO52682|HYDB_THEMA Bifurcating [FeFe] hydrogenase beta subunit (Gene Name=hydB)

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