4dwj

X-ray diffraction
2.74Å resolution

Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with Thymidine Monophosphate

Released:
Entry authors: Filippova EV, Minasov G, Shuvalova L, Kiryukhina O, Jedrzejczak R, Babnigg G, Rubin E, Sacchettini J, Joachimiak A, Anderson WF, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)

Function and Biology Details

Reaction catalysed:
ATP + dTMP = ADP + dTDP
Biochemical function:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate kinase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 229 amino acids
Theoretical weight: 26.2 KDa
Source organism: Staphylococcus aureus subsp. aureus Mu50
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P65248 (Residues: 1-205; Coverage: 100%)
Gene names: SAV0482, tmk
Sequence domains: Thymidylate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P1
Unit cell:
a: 58.662Å b: 73.409Å c: 96.868Å
α: 81.48° β: 90.1° γ: 90.12°
R-values:
R R work R free
0.204 0.201 0.268
Expression system: Escherichia coli BL21(DE3)