Structure of PDB 3i39 Chain X Binding Site BS05

Receptor Information
>3i39 Chain X (length=635) Species: 246194 (Carboxydothermus hydrogenoformans Z-2901) [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 IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3i39 Chain X Residue 5004 [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]
PDB3i39 Structural basis of cyanide inhibition of Ni, Fe-containing carbon monoxide dehydrogenase
Resolution1.36 Å
Binding residue
(original residue number in PDB)		H261 C295 C526
Binding residue
(residue number reindexed from 1)		H260 C294 C525
Annotation score1
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:3i39, PDBe:3i39, PDBj:3i39
PDBsum3i39
PubMed19583208
UniProtQ9F8A8|COOS2_CARHZ Carbon monoxide dehydrogenase 2 (Gene Name=cooS2)

[Back to BioLiP]