Structure of PDB 8fwy Chain B Binding Site BS02

Receptor Information

>8fwy Chain B (length=214) Species: 353153 (Trypanosoma cruzi strain CL Brener)

VHVVSRNAEGVIVVDGKAYPMAEELVATESVIQRSIKAVAKQIADFYRPL
SHRDTHGGGGVAPISDENPLIIISVLKGSYIFTADMVRYLGDYGLPHVVD
FLRVASMQLLAETQFKALRGKHVLILEDIVDSGKTLRYILDKVQREHQPA
TLKVCVLADKPGGRRVTMQPDFVCLTVPNKYVIGYGFEVNDRFRCFRHIF
TLRPGEARRYPAHL

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 8fwy Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8fwy Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
• Resolution: 1.54 Å
• Binding residue (original residue number in PDB): D148 S149 T152
• Binding residue (residue number reindexed from 1): D131 S132 T135
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.2.8: hypoxanthine phosphoribosyltransferase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0000287 magnesium ion binding
• GO:0004422 hypoxanthine phosphoribosyltransferase activity
• GO:0016757 glycosyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006178 guanine salvage
• GO:0032263 GMP salvage
• GO:0032264 IMP salvage
• GO:0046100 hypoxanthine metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:8fwy, PDBe:8fwy, PDBj:8fwy
• PDBsum: 8fwy
• PubMed: 37418678
• UniProt: Q4DGA2