Structure of PDB 3b52 Chain X Binding Site BS05

Receptor Information
>3b52 Chain X (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
GPCRINPFGDEPKVGICGATAEVIVARGLDRSIAAGAAGHSGHAKHLAHT
LKKAVQGKAASYMIKDRTKLHSIAKRLGIPTEGQKDEDIALEVAKAALAD
FHEKDTPVLWVTTVLPPSRVKVLSAHGLIPAGIDHEIAEIMHRTSMGCDA
DAQNLLLGGLRCSLADLAGCYMGTDLADILFGTPAPVVTESNLGVLKADA
VNVAVHGHNPVLSDIIVSVSKEMENEARAAGATGINVVGICCTGNEVLMR
HGIPACTHSVSQEMAMITGALDAMILDYQCIQPSVATIAECTGTTVITTM
EMSKITGATHVNFAEEAAVENAKQILRLAIDTFKRRKGKPVEIPNIKTKV
VAGFSTEAIINALSKLNANDPLKPLIDNVVNGNIRGVCLFAGCNNVKVPQ
DQNFTTIARKLLKQNVLVVATGCGAGALMRHGFMDPANVDELCGDGLKAV
LTAIGEANGLGGPLPPVLHMGSCVDNSRAVALVAALANRLGVDLDRLPVV
ASAAEAMHEKAVAIGTWAVTIGLPTHIGVLPPITGSLPVTQILTSSVKDI
TGGYFIVELDPETAADKLLAAINERRAGLGLPW
Ligand information
Ligand IDCO2
InChIInChI=1S/CO2/c2-1-3
InChIKeyCURLTUGMZLYLDI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)=O
ACDLabs 10.04
CACTVS 3.341		O=C=O
FormulaC O2
NameCARBON DIOXIDE
ChEMBLCHEMBL1231871
DrugBankDB09157
ZINC
PDB chain3b52 Chain X Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b52 Carbon dioxide activation at the Ni,Fe-cluster of anaerobic carbon monoxide dehydrogenase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H93 H261 C526 K563
Binding residue
(residue number reindexed from 1)		H90 H258 C523 K560
Annotation score5
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:3b52, PDBe:3b52, PDBj:3b52
PDBsum3b52
PubMed18048691
UniProtQ9F8A8|COOS2_CARHZ Carbon monoxide dehydrogenase 2 (Gene Name=cooS2)

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