› 3djf

X-ray diffraction
2.3Å resolution

Crystal Structure of Schistosoma mansoni Purine Nucleoside Phosphorylase in a complex with BCX-34

Released:
DOI: 10.2210/pdb3djf/pdb
PDB entry 3djf coloured by chain, front view.
PDB entry 3djf coloured by chain, side view.
PDB entry 3djf coloured by chain, top view.
Source organism: Schistosoma mansoni
Primary publication:
Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: kinetic and structural studies.
Castilho MS, Postigo MP, Pereira HM, Oliva G, Andricopulo AD
Bioorg Med Chem 18 1421-7 (2010)
PMID: 20129792

Function and Biology Details

Reaction catalysed: 
Purine deoxynucleoside + phosphate = purine + 2'-deoxy-alpha-D-ribose 1-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189646 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Purine nucleoside phosphorylase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 287 amino acids
Theoretical weight: 31.2 KDa
Source organism: Schistosoma mansoni
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9BMI9 (Residues: 1-287; Coverage: 100%)
Sequence domains: Phosphorylase superfamily
Structure domains: Nucleoside phosphorylase domain

Ligands and Environments

3 bound ligands:
Ligand SO4 2 x SO4
Ligand DMS 3 x DMS
Ligand BC3 3 x BC3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE W01B-MX2
Spacegroup: P212121
Unit cell:
a: 49.577Å b: 132.953Å c: 121.154Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.201 0.259
Expression system: Escherichia coli

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Citations

2 review citations

The pro-tumorigenic effects of metabolic alterations in glioblastoma including brain tumor initiating cells.
Libby et al. (2018)
1 more