› 2blb

X-ray diffraction
3Å resolution

X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative

Released:
DOI: 10.2210/pdb2blb/pdb
PDB entry 2blb coloured by chain, front view.
PDB entry 2blb coloured by chain, side view.
PDB entry 2blb coloured by chain, top view.
Source organism: Plasmodium vivax
Primary publication:
Crystal structure of dihydrofolate reductase from Plasmodium vivax: pyrimethamine displacement linked with mutation-induced resistance.
Kongsaeree P, Khongsuk P, Leartsakulpanich U, Chitnumsub P, Tarnchompoo B, Walkinshaw MD, Yuthavong Y
Proc Natl Acad Sci U S A 102 13046-51 (2005)
PMID: 16135570

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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126417 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional dihydrofolate reductase-thymidylate synthase Chain: A
Molecule details ›
Chain: A
Length: 238 amino acids
Theoretical weight: 27.11 KDa
Source organism: Plasmodium vivax
Expression system: Escherichia coli
UniProt:
  • Canonical: O02604 (Residues: 1-238; Coverage: 38%)
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
2 bound ligands:
Ligand CP7 1 x CP7
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR591
Spacegroup: C2
Unit cell:
a: 130.48Å b: 55.57Å c: 45.27Å
α: 90° β: 106.76° γ: 90°
R-values:
R R work R free
0.192 0.192 0.3
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Antifolates can have a role in the treatment of Plasmodium vivax.
Hawkins et al. (2007)
8 more

3 mentions without citation

Crystal structure of dihydrofolate reductase from Plasmodium vivax: pyrimethamine displacement linked with mutation-induced resistance.
Kongsaeree et al. (2005)
2 more