PDBe 4ivq

X-ray diffraction
1.9Å resolution

Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with IN43/5

Entry authors: Pernot L, Novakovic I, Westermaier Y, Perozzo R, Raic-Malic S, Scapozza L

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 dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Thymidine kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 331 amino acids
Theoretical weight: 35.78 KDa
Source organism: Herpes simplex virus (type 1 / strain 17)
Expression system: Escherichia coli BL21
  • Canonical: P03176 (Residues: 46-376; 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: 113.435Å b: 117.069Å c: 107.775Å
α: 90° β: 90° γ: 90°
R R work R free
0.213 0.192 0.222
Expression system: Escherichia coli BL21