Structure of PDB 1jqk Chain B Binding Site BS01

Receptor Information
>1jqk Chain B (length=610) Species: 1085 (Rhodospirillum rubrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETAWHRYEKQQPQCGFGSAGLCCRICLKGPCRIDPFGEGPKYGVCGADRD
TIVARHLVRMIAAGTAAHSEHGRHIALAMQHISQGELHDYSIRDEAKLYA
IAKTLGVATEGRGLLAIVGDLAAITLGDFQNQDYDKPCAWLAASLTPRRV
KRLGDLGLLPHNIDASVAQTMSRTHVGCDADPTNLILGGLRVAMADLDGS
MLATELSDALFGTPQPVVSAANLGVMKRGAVNIAVNGHNPMLSDIICDVA
ADLRDEAIAAGAAEGINIIGICCTGHEVMMRHGVPLATNYLSQELPILTG
ALEAMVVDVQCIMPSLPRIAECFHTQIITTDKHNKISGATHVPFDEHKAV
ETAKTIIRMAIAAFGRRDPNRVAIPAFKQKSIVGFSAEAVVAALAKVNAD
DPLKPLVDNVVNGNIQGIVLFVGCNTTKVQQDSAYVDLAKSLAKRNVLVL
ATGCAAGAFAKAGLMTSEATTQYAGEGLKGVLSAIGTAAGLGGPLPLVMH
MGSCVDNSRAVALATALANKLGVDLSDLPLVASAPECMSEKALAIGSWAV
TIGLPTHVGSVPPVIGSQIVTKLVTETAKDLVGGYFIVDTDPKSAGDKLY
AAIQERRAGL
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1jqk Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jqk Life on carbon monoxide: X-ray structure of Rhodospirillum rubrum Ni-Fe-S carbon monoxide dehydrogenase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C41 G44 C49
Binding residue
(residue number reindexed from 1)		C14 G17 C22
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:0008198 ferrous iron binding
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0042803 protein homodimerization activity
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
GO:0046872 metal ion binding
GO:0050418 hydroxylamine reductase activity
GO:0051538 3 iron, 4 sulfur cluster binding
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
GO:0032991 protein-containing complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1jqk, PDBe:1jqk, PDBj:1jqk
PDBsum1jqk
PubMed11593006
UniProtP31896|COOS_RHORU Carbon monoxide dehydrogenase (Gene Name=cooS)

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