› 3iro

X-ray diffraction
2.8Å resolution

Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase complexed with NADPH and Q-8 antifolate

Released:
DOI: 10.2210/pdb3iro/pdb
PDB entry 3iro coloured by chain, front view.
PDB entry 3iro coloured by chain, side view.
PDB entry 3iro 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, C, D
Molecule details ›
Chains: A, B, C, D
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 4 x NDP
4 bound ligands:
Ligand 2CY 4 x 2CY
Ligand PO4 4 x PO4
Ligand ACT 10 x ACT
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR591
Spacegroup: P21
Unit cell:
a: 81.544Å b: 165.936Å c: 84.718Å
α: 90° β: 113.41° γ: 90°
R-values:
R R work R free
0.206 0.206 0.277
Expression system: Escherichia coli BL21(DE3)

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