4oqx

X-ray diffraction
2.5Å resolution

Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with Me-ARA-EdU

Released:
Entry authors: Pernot L, Neef AB, Westermaier Y, Perozzo R, Luedtke N, Scapozza L

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidine kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 332 amino acids
Theoretical weight: 35.91 KDa
Source organism: Human alphaherpesvirus 1 strain 17
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P0DTH5 (Residues: 45-376; Coverage: 88%)
Gene names: TK, UL23
Sequence domains: Thymidine kinase from herpesvirus
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C2221
Unit cell:
a: 113.42Å b: 116.83Å c: 108.31Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.187 0.25
Expression system: Escherichia coli BL21