› 2cic

X-ray diffraction
1.7Å resolution

THE CRYSTAL STRUCTURE OF A COMPLEX OF CAMPYLOBACTER JEJUNI DUTPASE WITH SUBSTRATE ANALOGUE DUPNHPP

Released:
DOI: 10.2210/pdb2cic/pdb
PDB entry 2cic coloured by chain, front view.
PDB entry 2cic coloured by chain, side view.
PDB entry 2cic coloured by chain, top view.
Source organism: Campylobacter jejuni
Primary publication:
The crystal structure of the Leishmania major deoxyuridine triphosphate nucleotidohydrolase in complex with nucleotide analogues, dUMP, and deoxyuridine.
Hemsworth GR, Moroz OV, Fogg MJ, Scott B, Bosch-Navarrete C, González-Pacanowska D, Wilson KS
J Biol Chem 286 16470-81 (2011)
PMID: 21454646

Function and Biology Details

Reaction catalysed: 
dUTP + H(2)O = dUMP + diphosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171012 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
dUTPase Chain: A
Molecule details ›
Chain: A
Length: 229 amino acids
Theoretical weight: 27.05 KDa
Source organism: Campylobacter jejuni
Expression system: Escherichia coli
UniProt:
  • Canonical: Q0P8G4 (Residues: 1-229; Coverage: 100%)
Gene names: Cj1451, dut
Sequence domains: dUTPase
Structure domains: Type II deoxyuridine triphosphatase

Ligands and Environments

2 bound ligands:
Ligand DUP 1 x DUP
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: I4122
Unit cell:
a: 93.397Å b: 93.397Å c: 143.634Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.159 0.206
Expression system: Escherichia coli

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Citations

6 review citations

Recent developments in drug discovery for leishmaniasis and human African trypanosomiasis.
Nagle et al. (2014)
5 more

3 mentions without citation

Nucleotide pyrophosphatase employs a P-loop-like motif to enhance catalytic power and NDP/NTP discrimination.
Pécsi et al. (2011)
2 more