Structure of PDB 2yiv Chain X Binding Site BS02

Receptor Information
>2yiv Chain X (length=635) Species: 129958 (Carboxydothermus hydrogenoformans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARQNLKSTDRAVQQMLDKAKREGIQTVWDRYEAMKPQCGFGETGLCCRHC
LQGPCRINPFGDEPKVGICGATAEVIVARGLDRSIAAGAAGHSGHAKHLA
HTLKKAVQGKAASYMIKDRTKLHSIAKRLGIPTEGQKDEDIALEVAKAAL
ADFHEKDTPVLWVTTVLPPSRVKVLSAHGLIPAGIDHEIAEIMHRTSMGC
DADAQNLLLGGLRCSLADLAGCYMGTDLADILFGTPAPVVTESNLGVLKA
DAVNVAVHGHNPVLSDIIVSVSKEMENEARAAGATGINVVGICCTGNEVL
MRHGIPACTHSVSQEMAMITGALDAMILDYQCIQPSVATIAECTGTTVIT
TMEMSKITGATHVNFAEEAAVENAKQILRLAIDTFKRRKGKPVEIPNIKT
KVVAGFSTEAIINALSKLNANDPLKPLIDNVVNGNIRGVCLFAGCNNVKV
PQDQNFTTIARKLLKQNVLVVATGCGAGALMRHGFMDPANVDELCGDGLK
AVLTAIGEANGLGGPLPPVLHMGSCVDNSRAVALVAALANRLGVDLDRLP
VVASAAEAMHEKAVAIGTWAVTIGLPTHIGVLPPITGSLPVTQILTSSVK
DITGGYFIVELDPETAADKLLAAINERRAGLGLPW
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 chain2yiv Chain X Residue 5001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yiv N-Butyl Isocyanide Oxidation at the [Nife4S4Oh(X)] Cluster of Co Dehydrogenase.
Resolution1.28 Å
Binding residue
(original residue number in PDB)		C39 G42 C47
Binding residue
(residue number reindexed from 1)		C38 G41 C46
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
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Biological Process
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Cellular Component
External links
PDB RCSB:2yiv, PDBe:2yiv, PDBj:2yiv
PDBsum2yiv
PubMed21904889
UniProtQ9F8A8|COOS2_CARHZ Carbon monoxide dehydrogenase 2 (Gene Name=cooS2)

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