› 1mxf

X-ray diffraction
2.3Å resolution

Crystal Structure of Inhibitor Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi

Released:
DOI: 10.2210/pdb1mxf/pdb
PDB entry 1mxf coloured by chain, front view.
PDB entry 1mxf coloured by chain, side view.
PDB entry 1mxf coloured by chain, top view.
Source organism: Trypanosoma cruzi
Primary publication:
Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor.
Schormann N, Pal B, Senkovich O, Carson M, Howard A, Smith C, Delucas L, Chattopadhyay D
J Struct Biol 152 64-75 (2005)
PMID: 16168672

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184720 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative pteridine reductase 2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 276 amino acids
Theoretical weight: 29.32 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8I814 (Residues: 1-276; Coverage: 100%)
Gene name: ptr2
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

2 bound ligands:
Ligand NDP 4 x NDP
Ligand MTX 4 x MTX
1 modified residue:
Ligand MSE 12 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P31
Unit cell:
a: 74.79Å b: 74.79Å c: 180.99Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.197 0.197 0.239
Expression system: Escherichia coli

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Citations

1 review citation

Structure and dynamics of pteridine reductase 1: the key phenomena relevant to enzyme function and drug design.
Panecka-Hofman et al. (2023)
11 other articles

3 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)
2 more