Structure of PDB 6apu Chain A Binding Site BS01

Receptor Information

>6apu Chain A (length=177) Species: 5702 (Trypanosoma brucei brucei)

CKYDFATSVLFTEAELHTRMRGVAQRIADDYSNCNLKPLENPLVIVSVLK
GSFVFTADMVRILGDFGVPTRVEFLRASSYDIRGKHVLVLEDILDTALTL
REVVDSLKKSEPASIKTLVAIDKPGGRKIPFTAEYVVADVPNVFVVGYGL
DYDQSYREVRDVVILKPSVYETWGKEL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6apu Chain A Residue 305

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6apu Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
• Resolution: 1.842 Å
• Binding residue (original residue number in PDB): T22 R25
• Binding residue (residue number reindexed from 1): T18 R21
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E113 D114 D117 F166 R179
• Catalytic site (residue number reindexed from 1): E91 D92 D95 F144 R157
• 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
• GO:0052657 guanine phosphoribosyltransferase activity

Biological Process

• GO:0006166 purine ribonucleoside salvage
• GO:0006178 guanine salvage
• GO:0032263 GMP salvage
• GO:0032264 IMP salvage
• GO:0046100 hypoxanthine metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0020015 glycosome
• GO:0031981 nuclear lumen
• GO:0097014 ciliary plasm

External links

• PDB: RCSB:6apu, PDBe:6apu, PDBj:6apu
• PDBsum: 6apu
• PubMed: 29481567
• UniProt: Q07010|HPRT_TRYBB Hypoxanthine-guanine phosphoribosyltransferase (Gene Name=HGPRT)