Structure of PDB 7cup Chain A Binding Site BS01

Receptor Information

>7cup Chain A (length=348) 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
STGPNTEVGGKRKTPCHLDIPLRNCDIYLDDKAVVLAGDVVAPEESRA

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

7cup Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7cup 2,5-dihydroxypridine Dioxygenase in complex with 2,5-dihydroxypridine and product N-formylmaleamic acid
Resolution	2.0 Å
Binding residue (original residue number in PDB)	H265 S302 H318 D320
Binding residue (residue number reindexed from 1)	H264 S301 H317 D319
Annotation score	1

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:7cup, PDBe:7cup, PDBj:7cup
PDBsum	7cup
PubMed
UniProt	Q88FY1\|NICX_PSEPK 2,5-dihydroxypyridine 5,6-dioxygenase (Gene Name=nicX)

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