Structure of PDB 7dqx Chain F Binding Site BS01

Receptor Information
>7dqx Chain F (length=160) Species: 29320 (Paenarthrobacter nicotinovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNAFRLTVEVNGVTHATDVEPRRLLADFLRDDLHLRGTRVGCEHGVCGSC
TVILDGQPVRSCTVLAVQANNSRIETVESLQKDGQLHPLQRSFSKCHALQ
CGFCTSGFLMTLKPLYDDEDVTLDATSAREAISGNLCRCTGYQQIVEATV
DAFHCRDHND
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 chain7dqx Chain F Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dqx crystal structure of xanthine dehydrogenase family protein
Resolution3.44 Å
Binding residue
(original residue number in PDB)		C42 E43 G45 V46 C47 C50 R60 C62
Binding residue
(residue number reindexed from 1)		C42 E43 G45 V46 C47 C50 R60 C62
Annotation score1
Enzymatic activity
Enzyme Commision number 1.5.99.14: 6-hydroxypseudooxynicotine dehydrogenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0034909 6-hydroxypseudooxynicotine dehydrogenase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0019608 nicotine catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7dqx, PDBe:7dqx, PDBj:7dqx
PDBsum7dqx
PubMed
UniProtO87682|KDHB_PAENI 6-hydroxypseudooxynicotine dehydrogenase complex subunit beta (Gene Name=kdhB)

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