Structure of PDB 3cqj Chain B Binding Site BS01

Receptor Information
>3cqj Chain B (length=275) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIPLGIYEKALPAGCWLERLQLAKTLGFDFVEMSVDETDERLSRLDWSRE
QRLALVNAIVETGVRVPSMCLSAHRRFPLGSEDDAVRAQGLEIMRKAIQF
AQDVGIRVIQLAGYDVYYQEANNETRRRFRDGLKESVEMASRAQVTLAME
IMDYPLMNSISKALGYAHYLNNPWFQLYPDIGNLSAWDNDVQMELQAGIG
HIVAVHVKDTKPGVFKNVPFGEGVVDFERCFETLKQSGYCGPYLIEMWSE
TAEDPAAEVAKARDWVKARMAKAGM
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3cqj Chain B Residue 285 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3cqj Structure of L-xylulose-5-Phosphate 3-epimerase (UlaE) from the anaerobic L-ascorbate utilization pathway of Escherichia coli: identification of a novel phosphate binding motif within a TIM barrel fold.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		E155 D185 H211 E251
Binding residue
(residue number reindexed from 1)		E150 D180 H206 E246
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.22: L-ribulose-5-phosphate 3-epimerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0016861 intramolecular oxidoreductase activity, interconverting aldoses and ketoses
GO:0034015 L-ribulose-5-phosphate 3-epimerase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0019852 L-ascorbic acid metabolic process
GO:0019854 L-ascorbic acid catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3cqj, PDBe:3cqj, PDBj:3cqj
PDBsum3cqj
PubMed18849419
UniProtQ8XDI5|ULAE_ECO57 L-ribulose-5-phosphate 3-epimerase UlaE (Gene Name=ulaE)

[Back to BioLiP]