Structure of PDB 7cup Chain F Binding Site BS01
Receptor Information
>7cup Chain F (length=347) Species:
160488
(Pseudomonas putida KT2440) [
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PVSNAQLTQMFEHVLKLSRVDETQSVAVLKSHYSDPRTVNAAMEAAQRLK
AKVYAVELPAFNHPTAMGNDMTAYCGDTALTGNLAAQRALEAADLVVDTM
MLLHSPEQEQILKTGTRILLAVEPPEVLARMLPTEDDKRRVLAAETLLKQ
ARSLHVRSKAGSDFHAPLGQYPAVTEYGYADEPGRWDHWPSGFLFTWPNE
DSAEGTLVLDVGDIILPFKNYCRERITLEIEKGFITGIHGGFEAEYLRDY
MKYFNDPEVYGISHIGWGLQPRAQWTAMGLHDRNDGMCMDARAFYGNFLF
STGPNTEVGGKRKTPCHLDIPLRNCDIYLDDKAVVLAGDVVAPEESR
Ligand information
Ligand ID
FE
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
Fe
Name
FE (III) ION
ChEMBL
DrugBank
DB13949
ZINC
PDB chain
7cup Chain F Residue 401 [
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Receptor-Ligand Complex Structure
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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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