› 6ar9

X-ray diffraction
2.28Å resolution

Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid

Released:
DOI: 10.2210/pdb6ar9/pdb
PDB entry 6ar9 coloured by chain, front view.
PDB entry 6ar9 coloured by chain, side view.
PDB entry 6ar9 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

Assemblies composition:
homo dimer
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174407 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Phosphoribosyltransferase domain-containing protein Chains: A, C, D, E, F
Molecule details ›
Chains: A, 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
Phosphoribosyltransferase domain-containing protein Chain: B
Molecule details ›
Chain: B
Length: 272 amino acids
Theoretical weight: 30.64 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 3L4 6 x 3L4
Ligand MG 7 x MG
1 modified residue:
Ligand CSO 5 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 61.309Å b: 107.338Å c: 117.354Å
α: 90° β: 96.61° γ: 90°
R-values:
R R work R free
0.177 0.176 0.218
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

Phosphate Derivatives of 3-Carboxyacylbetulin: SynThesis, In Vitro Anti-HIV and Molecular Docking Study.
Marciniec et al. (2020)