3kjs

X-ray diffraction
2.5Å resolution

Crystal Structure of T. cruzi DHFR-TS with 3 high affinity DHFR inhibitors: DQ1 inhibitor complex

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
PDBe Complex ID:
PDB-CPX-186128 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional dihydrofolate reductase-thymidylate synthase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 521 amino acids
Theoretical weight: 58.9 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8T5T8 (Residues: 1-521; Coverage: 100%)
Gene name: C4B63_30g231
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAP 4 x NAP
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P43212
Unit cell:
a: 175.62Å b: 175.62Å c: 249.905Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.2 0.234
Expression system: Escherichia coli