Structure of PDB 7p92 Chain B Binding Site BS01

Receptor Information
>7p92 Chain B (length=612) 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
GMCTAFKKYVINPDICKGCGLCARSCPQNAITGERGKPYTIDQEKCVKCG
LCASKCPFKAIE
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 chain7p92 Chain B Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p92 Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C588 C608 C611 G612 L613 C614
Binding residue
(residue number reindexed from 1)		C576 C596 C599 G600 L601 C602
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:7p92, PDBe:7p92, PDBj:7p92
PDBsum7p92
PubMed36018003
UniProtO52682|HYDB_THEMA Bifurcating [FeFe] hydrogenase beta subunit (Gene Name=hydB)

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