Structure of PDB 3cqk Chain A Binding Site BS01

Receptor Information

>3cqk Chain A (length=276) Species: 562 (Escherichia coli)

QIPLGIYEKALPAGECWLERLQLAKTLGFDFVEMSVDETDERLSRLDWSR
EQRLALVNAIVETGVRVPSMCLSAHRRFPLGSEDDAVRAQGLEIMRKAIQ
FAQDVGIRVIQLAGYDVYYQEANNETRRRFRDGLKESVEMASRAQVTLAM
EIMDYPLMNSISKALGYAHYLNNPWFQLYPDIGNLSAWDNDVQMELQAGI
GHIVAVHVKDTKPGVFKNVPFGEGVVDFERCFETLKQSGYCGPYLIEMWS
ETAEDPAAEVAKARDWVKARMAKAGM

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3cqk Chain A Residue 285

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3cqk 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.
• Resolution: 2.33 Å
• Binding residue (original residue number in PDB): E155 D185 H211 E251
• Binding residue (residue number reindexed from 1): E151 D181 H207 E247
• Annotation score: 1

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

External links

• PDB: RCSB:3cqk, PDBe:3cqk, PDBj:3cqk
• PDBsum: 3cqk
• PubMed: 18849419
• UniProt: Q8XDI5|ULAE_ECO57 L-ribulose-5-phosphate 3-epimerase UlaE (Gene Name=ulaE)