› 4mqb

X-ray diffraction
1.55Å resolution

Crystal structure of thymidylate kinase from Staphylococcus aureus in complex with 2-(N-morpholino)ethanesulfonic acid

Released:
DOI: 10.2210/pdb4mqb/pdb
PDB entry 4mqb coloured by chain, front view.
PDB entry 4mqb coloured by chain, side view.
PDB entry 4mqb coloured by chain, top view.
Source organism: Staphylococcus aureus subsp. aureus Mu50
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:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159155 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 208 amino acids
Theoretical weight: 23.91 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

2 bound ligands:
Ligand MES 1 x MES
Ligand PG4 2 x PG4
1 modified residue:
Ligand MSE 8 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 46.134Å b: 90.457Å c: 49.524Å
α: 90° β: 101.64° γ: 90°
R-values:
R R work R free
0.145 0.142 0.198
Expression system: Escherichia coli BL21(DE3)

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