Structure of PDB 6ar9 Chain D Binding Site BS02

Receptor Information

>6ar9 Chain D (length=209) Species: 185431 (Trypanosoma brucei brucei TREU927)

PNFVGRDADGNVTVDGRSYPMAESVVATESTIHRSMKEMAQTLANAYKTL
KHRDTHNKGNSALAPITDENPLIIISVLKGSYIFTADMVRYLGDCGLPNV
VDFIRINLRFTELTGKHVLIMEDIADTGRTMKLLVEKIRREYRPASLKVC
VLVDKPGGRVVDFKPEFVCLTAPTRYVVGYGFEVNDRYRNYRHVFVLKPE
YAKRYPSKL

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: 6ar9 Chain D Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ar9 Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
• Resolution: 2.28 Å
• Binding residue (original residue number in PDB): G88 E208 R214
• Binding residue (residue number reindexed from 1): G80 E183 R189
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E147 D148 D151 Y201 R214
• Catalytic site (residue number reindexed from 1): E122 D123 D126 Y176 R189

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:6ar9, PDBe:6ar9, PDBj:6ar9
• PDBsum: 6ar9
• PubMed: 29481567
• UniProt: Q38CA1