› 2j87

X-ray diffraction
3.1Å resolution

Structure of vaccinia virus thymidine kinase in complex with dTTP: insights for drug design

Released:
DOI: 10.2210/pdb2j87/pdb
PDB entry 2j87 coloured by chain, front view.
PDB entry 2j87 coloured by chain, side view.
PDB entry 2j87 coloured by chain, top view.
Source organism: Vaccinia virus
Primary publication:
Structure of vaccinia virus thymidine kinase in complex with dTTP: insights for drug design.
El Omari K, Solaroli N, Karlsson A, Balzarini J, Stammers DK
BMC Struct Biol 6 22 (2006)
PMID: 17062140

Function and Biology Details

Reaction catalysed: 
ATP + thymidine = ADP + thymidine 5'-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129580 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidine kinase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 177 amino acids
Theoretical weight: 20.07 KDa
Source organism: Vaccinia virus
Expression system: Escherichia coli
UniProt:
  • Canonical: O57203 (Residues: 1-177; Coverage: 100%)
Gene names: ACAM3000_MVA_086, J2R, MVA086R, OPG101, TK
Sequence domains: Thymidine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand TTP 4 x TTP
Ligand ZN 4 x ZN
Ligand MG 4 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P31
Unit cell:
a: 63.331Å b: 63.331Å c: 166.412Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.258 0.257 0.289
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Alpha-Herpesvirus Thymidine Kinase Genes Mediate Viral Virulence and Are Potential Therapeutic Targets.
Xie et al. (2019)
4 more

3 mentions without citation

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