Structure of PDB 7err Chain A Binding Site BS02

Receptor Information
>7err 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
GPCRINPFGDEPKVGICGATAEVIVARGLDRSIAAGAAGHSGHAKHLAHT
LKKAVQGKAASYMIKDRTKLHSIAKRLGIPTEGQKDEDIALEVAKAALAD
FHEKDTPVLWVTTVLPPSRVKVLSAHGLIPAGIDHEIAEIMHRTSMGCDA
DAQNLLLGGLRCSLADLAGCYMGTDLADILFGTPAPVVTESNLGVLKADA
VNVAVHGHNPVLSDIIVSVSKEMENEARAAGATGINVVGICCTGNEVLMR
HGIPACTHSVSQEMAMITGALDAMILDYQCIQPSVATIAECTGTTVITTM
EMSKITGATHVNFAEEAAVENAKQILRLAIDTFKRRKGKPVEIPNIKTKV
VAGFSTEAIINALSKLNANDPLKPLIDNVVNGNIRGVCLFAGCNNVKVPQ
DQNFTTIARKLLKQNVLVVATGCGAGALMRHGFMDPANVDELCGDGLKAV
LTAIGEANGLGGPLPPVLHMGSCVDNSRAVALVAALANRLGVDLDRLPVV
ASAAEWMHEKAVAIGTWAVTIGLPTHIGVLPPITGSLPVTQILTSSVKDI
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 chain7err 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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PDB7err O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas
Resolution2.26 Å
Binding residue
(original residue number in PDB)		C39 G42 C47
Binding residue
(residue number reindexed from 1)		C36 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
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Biological Process
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Cellular Component
External links
PDB RCSB:7err, PDBe:7err, PDBj:7err
PDBsum7err
PubMed
UniProtQ9F8A8|COOS2_CARHZ Carbon monoxide dehydrogenase 2 (Gene Name=cooS2)

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