Structure of PDB 7p5h Chain E Binding Site BS01

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 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 chain7p5h Chain E Residue 701 [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)		P331 S484 C485 G486 K487 C488 C491 L530 C531 L533 G534
Binding residue
(residue number reindexed from 1)		P319 S472 C473 G474 K475 C476 C479 L518 C519 L521 G522
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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