Structure of PDB 8x9f Chain A Binding Site BS02

Receptor Information
>8x9f Chain A (length=633) Species: 246194 (Carboxydothermus hydrogenoformans Z-2901) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNLKSTDRAVQQMLDKAKREGIQTVWDRYEAMKPQCGFGETGLCCRHCLQ
GPCGILPFGDEPKVGICGATAEVIVARGLDRSIAAGAAGHSGHAKHLAHT
LKKAVQGKAASYMIKDRTKLHSIAKRLGIPTEGQKDEDIALEVAKAALAD
FHEKDTPVLWVTTVLPPSRVKVLSAHGLIPAGIDHEIAEIMHRTSMGCDA
DAQNLLLGGLRCSLADLAGCYMGTDLADILFGTPAPVVTESNLGVLKADA
VNVAVHGHNPVLSDIIVSVSKEMENEARAAGATGINVVGICCTGNEVLMR
HGIPACTHSVSQEMAMITGALDAMILDYQCIQPSVATIAECTGTTVITTM
EMSKITGATHVNFAEEAAVENAKQILRLAIDTFKRRKGKPVEIPNIKTKV
VAGFSTEAIINALSKLNANDPLKPLIDNVVNGNIRGVCLFAGCNNVKVPQ
DQNFTTIARKLLKQNVLVVATGCGAGALMRHGFMDPANVDELCGDGLKAV
LTAIGEANGLGGPLPPVLHMGSCVDNSRAVALVAALANRLGVDLDRLPVV
ASAAEAMHEKAVAIGTWAVTIGLPTHIGVLPPITGSLPVTQILTSSVKDI
TGGYFIVELDPETAADKLLAAINERRAGLGLPW
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8x9f Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8x9f Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity
Resolution2.48 Å
Binding residue
(original residue number in PDB)		C39 F41 G42 C47
Binding residue
(residue number reindexed from 1)		C36 F38 G39 C44
Annotation score3
Enzymatic activity
Enzyme Commision number 1.2.7.4: anaerobic carbon-monoxide dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004601 peroxidase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
GO:0046872 metal ion binding
GO:0050418 hydroxylamine reductase activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0042542 response to hydrogen peroxide
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8x9f, PDBe:8x9f, PDBj:8x9f
PDBsum8x9f
PubMed38548760
UniProtQ9F8A8|COOS2_CARHZ Carbon monoxide dehydrogenase 2 (Gene Name=cooS2)

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