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

X-ray diffraction
3.1Å resolution
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
Assembly composition:
homo tetramer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Thymidine kinase
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Multimeric state: homo tetramer
Accessible surface area: 26988.26 Å2
Buried surface area: 11820.37 Å2
Dissociation area: 1,938.5 Å2
Dissociation energy (ΔGdiss): 8.57 kcal/mol
Dissociation entropy (TΔSdiss): 13.82 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-129580

Macromolecules

Thymidine kinase
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
Pfam: Thymidine kinase
InterPro:
CATH:
Thymidine kinase in PDB entry 2j87, assembly 1, front view.
Thymidine kinase in PDB entry 2j87, assembly 1, side view.
Thymidine kinase in PDB entry 2j87, assembly 1, top view.
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