Structure of PDB 6aqo Chain E Binding Site BS02

Receptor Information

>6aqo Chain E (length=210) Species: 185431 (Trypanosoma brucei brucei TREU927)

KPNFVGRDADGNVTVDGRSYPMAESVVATESTIHRSMKEMAQTLANAYKT
LKHRDTHNKGNSALAPITDENPLIIISVLKGSYIFTADMVRYLGDCGLPN
VVDFIRINLRFTELTGKHVLIMEDIADTGRTMKLLVEKIRREYRPASLKV
CVLVDKPGGRVVDFKPEFVCLTAPTRYVVGYGFEVNDRYRNYRHVFVLKP
EYAKRYPSKL

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: 6aqo Chain E Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6aqo Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
• Resolution: 2.64 Å
• Binding residue (original residue number in PDB): E147 D148
• Binding residue (residue number reindexed from 1): E123 D124
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E147 D148 D151 Y201 R214
• Catalytic site (residue number reindexed from 1): E123 D124 D127 Y177 R190

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0000287 magnesium ion binding
• GO:0000310 xanthine phosphoribosyltransferase activity
• GO:0004422 hypoxanthine phosphoribosyltransferase activity
• GO:0016757 glycosyltransferase activity
• GO:0042301 phosphate ion binding
• GO:0046872 metal ion binding
• GO:0052657 guanine phosphoribosyltransferase activity

Biological Process

• 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

External links

• PDB: RCSB:6aqo, PDBe:6aqo, PDBj:6aqo
• PDBsum: 6aqo
• PubMed: 29481567
• UniProt: Q38CA1