› 2w0s

X-ray diffraction
2.92Å resolution

Crystal structure of vaccinia virus thymidylate kinase bound to brivudin-5'-monophosphate

Released:
DOI: 10.2210/pdb2w0s/pdb
Model geometry
Fit model/data
PDB entry 2w0s coloured by chain, front view.
PDB entry 2w0s coloured by chain, side view.
PDB entry 2w0s coloured by chain, top view.
Source organism: Vaccinia virus Copenhagen
Primary publication:
Crystal structure of poxvirus thymidylate kinase: an unexpected dimerization has implications for antiviral therapy.
Caillat C, Topalis D, Agrofoglio LA, Pochet S, Balzarini J, Deville-Bonne D, Meyer P
Proc Natl Acad Sci U S A 105 16900-5 (2008)
PMID: 18971333

Function and Biology Details

Reaction catalysed: 
ATP + dTMP = ADP + dTDP
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159496 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 204 amino acids
Theoretical weight: 23.24 KDa
Source organism: Vaccinia virus Copenhagen
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P68693 (Residues: 1-204; Coverage: 100%)
Gene names: A48R, OPG178, TMK
Sequence domains: Thymidylate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

3 bound ligands:
Ligand MG 4 x MG
Ligand BVP 3 x BVP
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 58.37Å b: 78.35Å c: 95.04Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.212 0.283
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Orthopoxvirus targets for the development of new antiviral agents.
Prichard et al. (2012)
2 more

4 mentions without citation

Poxvirus proteomics and virus-host protein interactions.
Van Vliet et al. (2009)
3 more