› 4dq1

X-ray diffraction
2.71Å resolution

Thymidylate synthase from Staphylococcus aureus.

Released:
DOI: 10.2210/pdb4dq1/pdb
PDB entry 4dq1 coloured by chain, front view.
PDB entry 4dq1 coloured by chain, side view.
PDB entry 4dq1 coloured by chain, top view.
Source organism: Staphylococcus aureus subsp. aureus Mu50
Entry authors: Osipiuk J, Holowicki J, Jedrzejczak R, Rubin E, Guinn K, Ioerger T, Baker D, Sacchettini J, Joachimiak A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)

Function and Biology Details

Reaction catalysed: 
5,10-methylenetetrahydrofolate + dUMP = dihydrofolate + dTMP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159197 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 321 amino acids
Theoretical weight: 37.14 KDa
Source organism: Staphylococcus aureus subsp. aureus Mu50
Expression system: Escherichia coli
UniProt:
  • Canonical: P67046 (Residues: 1-318; Coverage: 100%)
Gene names: SAV1427, thyA
Sequence domains: Thymidylate synthase
Structure domains: Thymidylate synthase/dCMP hydroxymethylase domain

Ligands and Environments

1 bound ligand:
Ligand UMP 2 x UMP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P43
Unit cell:
a: 111.309Å b: 111.309Å c: 59.081Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.192 0.252
Expression system: Escherichia coli

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