› 2qhx

X-ray diffraction
2.61Å resolution

Structure of Pteridine Reductase from Leishmania major complexed with a ligand

Released:
DOI: 10.2210/pdb2qhx/pdb
PDB entry 2qhx coloured by chain, front view.
PDB entry 2qhx coloured by chain, side view.
PDB entry 2qhx coloured by chain, top view.
Source organism: Leishmania major
Primary publication:
Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development.
Cavazzuti A, Paglietti G, Hunter WN, Gamarro F, Piras S, Loriga M, Allecca S, Corona P, McLuskey K, Tulloch L, Gibellini F, Ferrari S, Costi MP
Proc Natl Acad Sci U S A 105 1448-53 (2008)
PMID: 18245389

Function and Biology Details

Reaction catalysed: 
5,6,7,8-tetrahydrobiopterin + 2 NADP(+) = biopterin + 2 NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169629 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pteridine reductase 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 328 amino acids
Theoretical weight: 34.78 KDa
Source organism: Leishmania major
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q01782 (Residues: 1-288; Coverage: 100%)
Gene names: HMTXR, L1063.01, LmjF23.0270, LmjF_23_0270, PTR1
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAP 4 x NAP
2 bound ligands:
Ligand IOD 2 x IOD
Ligand FE1 4 x FE1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 95.499Å b: 104.231Å c: 136.865Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.183 0.228
Expression system: Escherichia coli BL21

Quick links

Citations

10 review citations

Recent developments in drug discovery for leishmaniasis and human African trypanosomiasis.
Nagle et al. (2014)
9 more

9 mentions without citation

Computer-Aided Drug Design Using Sesquiterpene Lactones as Sources of New Structures with Potential Activity against Infectious Neglected Diseases.
Herrera Acevedo et al. (2017)
8 more