2j87

X-ray diffraction
3.1Å resolution

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

Released:

Function and Biology Details

Reaction catalysed:
ATP + thymidine = ADP + thymidine 5'-phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (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, TK
Sequence domains: Thymidine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
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