Structure of PDB 2wm2 Chain A Binding Site BS01

Receptor Information
>2wm2 Chain A (length=274) Species: 211146 (Paenarthrobacter nitroguajacolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDTYLHETLVFDNKLSYIDNQRDTDGPAILLLPGWCHDHRVYKYLIQELD
ADFRVIVPNWRGHGLSPSEVPDFGYQEQVKDALEILDQLGVETFLPVSHS
HGGWVLVELLEQAGPERAPRGIIMDWLMWAPKPDFAKSLTLLKDPERWRE
GTHGLFDVWLDGHDEKRVRHHLLEEMADYGYDCWGRSGRVIEDAYGRNGS
PMQMMANLTKTRPIRHIFSQPTEPEYEKINSDFAEQHPWFSYAKLGGPTH
FPAIDVPDRAAVHIREFATAIRQG
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain2wm2 Chain A Residue 1281 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wm2 Structural Basis for Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G35 S101 H102
Binding residue
(residue number reindexed from 1)		G34 S100 H101
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.48: 3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0050586 3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase activity
GO:0051213 dioxygenase activity
Biological Process
GO:0009056 catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2wm2, PDBe:2wm2, PDBj:2wm2
PDBsum2wm2
PubMed20080731
UniProtO31266|HOD_PAENT 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase (Gene Name=hod)

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