› 6aqo

X-ray diffraction
2.64Å resolution

Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)

Released:
DOI: 10.2210/pdb6aqo/pdb
Model geometry
Fit model/data
PDB entry 6aqo coloured by chain, front view.
PDB entry 6aqo coloured by chain, side view.
PDB entry 6aqo coloured by chain, top view.
Source organism: Trypanosoma brucei brucei TREU927
Primary publication:
Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
Doleželová E, Terán D, Gahura O, Kotrbová Z, Procházková M, Keough D, Špaček P, Hocková D, Guddat L, Zíková A
OpenAccess logo PLoS Negl Trop Dis 12 e0006301 (2018)
PMID: 29481567

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174408 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphoribosyltransferase domain-containing protein Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 272 amino acids
Theoretical weight: 30.65 KDa
Source organism: Trypanosoma brucei brucei TREU927
Expression system: Escherichia coli
UniProt:
  • Canonical: Q38CA1 (Residues: 2-234; Coverage: 100%)
Gene name: Tb10.70.6660
Sequence domains: Phosphoribosyl transferase domain
Structure domains: Rossmann fold

Ligands and Environments

2 bound ligands:
Ligand 45T 6 x 45T
Ligand MG 2 x MG
1 modified residue:
Ligand CSO 6 x CSO

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 61.321Å b: 107.841Å c: 117.693Å
α: 90° β: 96.33° γ: 90°
R-values:
R R work R free
0.194 0.191 0.249
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Phosphonates and Phosphonate Prodrugs in Medicinal Chemistry: Past Successes and Future Prospects.
Krečmerová et al. (2022)
3 more

1 mention without citation

Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
Keough et al. (2024)