› 3inv

X-ray diffraction
2.37Å resolution

Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE

Released:
DOI: 10.2210/pdb3inv/pdb
PDB entry 3inv coloured by chain, front view.
PDB entry 3inv coloured by chain, side view.
PDB entry 3inv coloured by chain, top view.
Source organism: Trypanosoma cruzi
Entry authors: Chitnumsub P, Yuvaniyama J, Yuthavong Y

Function and Biology Details

Reactions catalysed: 
5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH
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-173283 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional dihydrofolate reductase-thymidylate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 521 amino acids
Theoretical weight: 58.93 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q27793 (Residues: 1-521; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
3 bound ligands:
Ligand C50 2 x C50
Ligand UMP 2 x UMP
Ligand GOL 5 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL38B1
Spacegroup: C2221
Unit cell:
a: 93.881Å b: 136.9Å c: 167.824Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 0.243
Expression system: Escherichia coli BL21(DE3)

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