› 2c7v

X-ray diffraction
2.2Å resolution

Structure of Trypanosoma brucei pteridine reductase (PTR1) in ternary complex with cofactor and the antifolate methotrexate

Released:
DOI: 10.2210/pdb2c7v/pdb
PDB entry 2c7v coloured by chain, front view.
PDB entry 2c7v coloured by chain, side view.
PDB entry 2c7v coloured by chain, top view.
Source organism: Trypanosoma brucei brucei
Primary publication:
Structure and reactivity of Trypanosoma brucei pteridine reductase: inhibition by the archetypal antifolate methotrexate.
Dawson A, Gibellini F, Sienkiewicz N, Tulloch LB, Fyfe PK, McLuskey K, Fairlamb AH, Hunter WN
Mol Microbiol 61 1457-68 (2006)
PMID: 16968221

Function and Biology Details

Reaction catalysed: 
5,6,7,8-tetrahydrobiopterin + 2 NADP(+) = biopterin + 2 NADPH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131227 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pteridine reductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 268 amino acids
Theoretical weight: 28.74 KDa
Source organism: Trypanosoma brucei brucei
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O76290 (Residues: 1-268; Coverage: 100%)
Gene name: 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
3 bound ligands:
Ligand MTX 4 x MTX
Ligand NI 2 x NI
Ligand ACT 2 x ACT
1 modified residue:
Ligand CAF 8 x CAF

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21
Unit cell:
a: 74.655Å b: 90.244Å c: 82.841Å
α: 90° β: 115.76° γ: 90°
R-values:
R R work R free
0.157 0.153 0.223
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Dihydrofolate reductase, thymidylate synthase, and serine hydroxy methyltransferase: successful targets against some infectious diseases.
Shamshad et al. (2022)
2 more

8 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)
7 more