5t0l

X-ray diffraction
3.13Å resolution

Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15)

Released:

Function and Biology Details

Reactions catalysed:
5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH
5,10-methylenetetrahydrofolate + dUMP = dihydrofolate + dTMP
Biochemical function:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional dihydrofolate reductase-thymidylate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 566 amino acids
Theoretical weight: 64.21 KDa
Source organism: Toxoplasma gondii
Expression system: Escherichia coli
UniProt:
  • Canonical: Q07422 (Residues: 1-610; Coverage: 93%)
Sequence domains: Thymidylate synthase
Structure domains:

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 51.277Å b: 143.983Å c: 170.214Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.254 0.253 0.274
Expression system: Escherichia coli