› 4a5a

X-ray diffraction
2.85Å resolution

Crystal structure of the C258S/C268S variant of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 3 (NTPDase3) in complex with magnesium and AMPPNP

Released:
DOI: 10.2210/pdb4a5a/pdb
PDB entry 4a5a coloured by chain, front view.
PDB entry 4a5a coloured by chain, side view.
PDB entry 4a5a coloured by chain, top view.
Source organism: Toxoplasma gondii
Primary publication:
Structural insight into activation mechanism of Toxoplasma gondii nucleoside triphosphate diphosphohydrolases by disulfide reduction.
Krug U, Zebisch M, Krauss M, Sträter N
J Biol Chem 287 3051-66 (2012)
PMID: 22130673

Function and Biology Details

Reaction catalysed: 
NTP + H(2)O = NDP + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173290 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nucleoside-triphosphatase 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 611 amino acids
Theoretical weight: 67.63 KDa
Source organism: Toxoplasma gondii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q27893 (Residues: 26-628; Coverage: 100%)
Gene name: NTP3
Sequence domains: GDA1/CD39 (nucleoside phosphatase) family
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ANP 4 x ANP
Ligand MG 4 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: C2221
Unit cell:
a: 71.953Å b: 150.668Å c: 486.988Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.236 0.234 0.284
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

Therapeutic potentials of ecto-nucleoside triphosphate diphosphohydrolase, ecto-nucleotide pyrophosphatase/phosphodiesterase, ecto-5'-nucleotidase, and alkaline phosphatase inhibitors.
al-Rashida et al. (2014)
4 more

3 mentions without citation

Cellular function and molecular structure of ecto-nucleotidases.
Zimmermann et al. (2012)
2 more