The crystal structure of Trypanosoma cruzi dUTPase reveals a novel dUTP/dUDP binding fold

Structure. 2004 Jan;12(1):41-53. doi: 10.1016/j.str.2003.11.016.

Abstract

dUTPase is an essential enzyme involved with nucleotide metabolism and replication. We report here the X-ray structure of Trypanosoma cruzi dUTPase in its native conformation and as a complex with dUDP. These reveal a novel protein fold that displays no structural similarities to previously described dUTPases. The molecular unit is a dimer with two active sites. Nucleotide binding promotes extensive structural rearrangements, secondary structure remodeling, and rigid body displacements of 20 A or more, which effectively bury the substrate within the enzyme core for the purpose of hydrolysis. The molecular complex is a trapped enzyme-substrate arrangement which clearly demonstrates structure-induced specificity and catalytic potential. This enzyme is a novel dUTPase and therefore a potential drug target in the treatment of Chagas' disease.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Animals
  • Binding Sites
  • Crystallography, X-Ray
  • Deoxyuracil Nucleotides / chemistry*
  • Dimerization
  • Enzyme Inhibitors / pharmacology
  • Humans
  • Magnesium / chemistry*
  • Molecular Sequence Data
  • Protein Binding
  • Protein Structure, Quaternary*
  • Pyrophosphatases / antagonists & inhibitors
  • Pyrophosphatases / chemistry*
  • Trypanosoma cruzi / enzymology*

Substances

  • Deoxyuracil Nucleotides
  • Enzyme Inhibitors
  • Pyrophosphatases
  • dUTP pyrophosphatase
  • Magnesium

Associated data

  • PDB/1OGK
  • PDB/1OGL