Structure of PDB 3cqj Chain A Binding Site BS01

Receptor Information
>3cqj Chain A (length=276) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIPLGIYEKALPAGECWLERLQLAKTLGFDFVEMSVDETDERLSRLDWSR
EQRLALVNAIVETGVRVPSMCLSAHRRFPLGSEDDAVRAQGLEIMRKAIQ
FAQDVGIRVIQLAGYDVYYQEANNETRRRFRDGLKESVEMASRAQVTLAM
EIMDYPLMNSISKALGYAHYLNNPWFQLYPDIGNLSAWDNDVQMELQAGI
GHIVAVHVKDTKPGVFKNVPFGEGVVDFERCFETLKQSGYCGPYLIEMWS
ETAEDPAAEVAKARDWVKARMAKAGM
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 A Residue 285 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		E151 D181 H207 E247
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

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Molecular Function
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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)

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