Structure of PDB 7cn3 Chain C Binding Site BS02

Receptor Information
>7cn3 Chain C (length=349) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVSNAQLTQMFEHVLKLSRVDETQSVAVLKSHYSDPRTVNAAMEAAQRLK
AKVYAVELPAFNHPTAMGNDMTAYCGDTALTGNLAAQRALEAADLVVDTM
MLLHSPEQEQILKTGTRILLAVEPPEVLARMLPTEDDKRRVLAAETLLKQ
ARSLHVRSKAGSDFHAPLGQYPAVTEYGYADEPGRWDHWPSGFLFTWPNE
DSAEGTLVLDVGDIILPFKNYCRERITLEIEKGFITGIHGGFEAEYLRDY
MKYFNDPEVYGISHIGWGLQPRAQWTAMGLHDRNDGMCMDARAFYGNFLF
STGPNTEVGGKRKTPCHLDIPLRNCDIYLDDKAVVLAGDVVAPEESRAR
Ligand information
Ligand IDG6C
InChIInChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)
InChIKeyCHGPEDOMXOLANF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=CC(=O)NC=C1O
CACTVS 3.385OC1=CNC(=O)C=C1
FormulaC5 H5 N O2
Name5-oxidanyl-1H-pyridin-2-one
ChEMBL
DrugBank
ZINCZINC000013527001
PDB chain7cn3 Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cn3 2,5-dihydroxypridine Dioxygenase in complex with 2,5-dihydroxypridine and product N-formylmaleamic acid
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L104 H105 E177 H189 M290
Binding residue
(residue number reindexed from 1)		L103 H104 E176 H188 M289
Annotation score5
Enzymatic activity
Enzyme Commision number 1.13.11.9: 2,5-dihydroxypyridine 5,6-dioxygenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0047075 2,5-dihydroxypyridine 5,6-dioxygenase activity
Biological Process
GO:0009056 catabolic process
GO:1901848 nicotinate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7cn3, PDBe:7cn3, PDBj:7cn3
PDBsum7cn3
PubMed
UniProtQ88FY1|NICX_PSEPK 2,5-dihydroxypyridine 5,6-dioxygenase (Gene Name=nicX)

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