Structure of PDB 2yiv Chain X Binding Site BS06

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 IDNBN
InChIInChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3
InChIKeyFSBLVBBRXSCOKU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCC[N+]#[C-]
isocyanide
FormulaC5 H9 N
NameN-BUTYL ISOCYANIDE
ChEMBL
DrugBankDB01826
ZINCZINC000053683318
PDB chain2yiv Chain X Residue 5005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2yiv N-Butyl Isocyanide Oxidation at the [Nife4S4Oh(X)] Cluster of Co Dehydrogenase.
Resolution1.28 Å
Binding residue
(original residue number in PDB)		L82 V565 I586 F608
Binding residue
(residue number reindexed from 1)		L81 V564 I585 F607
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.78,Ki=1.66mM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2yiv, PDBe:2yiv, PDBj:2yiv
PDBsum2yiv
PubMed21904889
UniProtQ9F8A8|COOS2_CARHZ Carbon monoxide dehydrogenase 2 (Gene Name=cooS2)

[Back to BioLiP]