Structure of PDB 2fli Chain J Binding Site BS01

Receptor Information

>2fli Chain J (length=218) Species: 1314 (Streptococcus pyogenes)

STLKIAPSILAADYANFASELARIEETDAEYVHIDIMDGQFVPNISFGAD
VVASMRKHSKLVFDCHLMVVDPERYVEAFAQAGADIMTIHTESTRHIHGA
LQKIKAAGMKAGVVINPGTPATALEPLLDLVDQVLIMTVNPGFGGQAFIP
ECLEKVATVAKWRDEKGLSFDIEVDGGVDNKTIRACYEAGANVFVAGSYL
FKASDLVSQVQTLRTALN

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: 2fli Chain J Residue 1994

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2fli d-Ribulose 5-Phosphate 3-Epimerase: Functional and Structural Relationships to Members of the Ribulose-Phosphate Binding (beta/alpha)(8)-Barrel Superfamily(,).
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): H34 D36 H67 D176
• Binding residue (residue number reindexed from 1): H33 D35 H66 D175
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S9 H34 D36 M38 H67 M69 M138 D176
• Catalytic site (residue number reindexed from 1): S8 H33 D35 M37 H66 M68 M137 D175
• Enzyme Commision number: 5.1.3.1: ribulose-phosphate 3-epimerase.

Gene Ontology

Molecular Function

• GO:0004750 D-ribulose-phosphate 3-epimerase activity
• GO:0016853 isomerase activity
• GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006098 pentose-phosphate shunt
• GO:0009052 pentose-phosphate shunt, non-oxidative branch
• GO:0019323 pentose catabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:2fli, PDBe:2fli, PDBj:2fli
• PDBsum: 2fli
• PubMed: 16489742
• UniProt: Q9A1H8