› 3rg9

X-ray diffraction
2Å resolution

Trypanosoma brucei dihydrofolate reductase (TbDHFR) in complex with WR99210

Released:
DOI: 10.2210/pdb3rg9/pdb
PDB entry 3rg9 coloured by chain, front view.
PDB entry 3rg9 coloured by chain, side view.
PDB entry 3rg9 coloured by chain, top view.
Source organism: Trypanosoma brucei rhodesiense
Primary publication:
Trypanosomal dihydrofolate reductase reveals natural antifolate resistance.
Vanichtanankul J, Taweechai S, Yuvaniyama J, Vilaivan T, Chitnumsub P, Kamchonwongpaisan S, Yuthavong Y
ACS Chem Biol 6 905-11 (2011)
PMID: 21650210

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-173281 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional dihydrofolate reductase-thymidylate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 240 amino acids
Theoretical weight: 26.22 KDa
Source organism: Trypanosoma brucei rhodesiense
Expression system: Escherichia coli
UniProt:
  • Canonical: Q27783 (Residues: 1-240; Coverage: 46%)
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
1 bound ligand:
Ligand WRA 2 x WRA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: P41
Unit cell:
a: 58.409Å b: 58.409Å c: 151.123Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.183 0.221
Expression system: Escherichia coli

Quick links

Citations

3 review citations

A Structural View on Medicinal Chemistry Strategies against Drug Resistance.
Agnello et al. (2019)
2 more

7 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
6 more