1qhi

X-ray diffraction
1.9Å resolution

HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE

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 dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidine kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 366 amino acids
Theoretical weight: 39.89 KDa
Source organism: Human alphaherpesvirus 1 strain 17
Expression system: Escherichia coli
UniProt:
  • Canonical: P03176 (Residues: 11-376; Coverage: 97%)
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: ESRF BEAMLINE BM14
Spacegroup: C2221
Unit cell:
a: 113.4Å b: 118Å c: 109Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.227 0.227 0.291
Expression system: Escherichia coli