Structure of PDB 7p92 Chain A Binding Site BS04

Receptor Information
>7p92 Chain A (length=554) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIYVDGREVIINDNERNLLEALKNVGIEIPNLCYLSEASIYGACRMCLV
EINGQITTSCTLKPYEGMKVKTNTPEIYEMRRNILELILATHNRDCTTCD
RNGSCKLQKYAEDFGIRKIRFEALKKEHVRDESAPVVRDTSKCILCGDCV
RVCEEIQGVGVIEFAKRGFESVVTTAFDTPLIETECVLCGQCVAYCPTGA
LSIRNDIDKLIEALESDKIVIGMIAPAVRAAIQEEFGIDEDVAMAEKLVS
FLKTIGFDKVFDVSFGADLVAYEEAHEFYERLKKGERLPQFTSCCPAWVK
HAEHTYPQYLQNLSSVKSPQQALGTVIKKIYARKLGVPEEKIFLVSFMPC
TAKKFEAEREEHEGIVDIVLTTRELAQLIKMSRIDINRVEPQPFDRPYGV
SSQAGLGFGKAGGVFSCVLSVLNEEIGIEKVDVKSPEDGIRVAEVTLKDG
TSFKGAVIYGLGKVKKFLEERKDVEIIEVMACNYGCVGGGGQPYPNDSRI
REHRAKVLRDTMGIKSLLTPVENLFLMKLYEEDLKDEHTRHEILHTTYRP
RRRY
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 A Residue 704 [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)		H92 D95 C96 C99 N102 C105 T198
Binding residue
(residue number reindexed from 1)		H92 D95 C96 C99 N102 C105 T198
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:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042773 ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0016020 membrane

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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
UniProtO52683|HYDA_THEMA Bifurcating [FeFe] hydrogenase alpha subunit (Gene Name=hydA)

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