Structure of pyrR (Rv1379) from Mycobacterium tuberculosis: a persistence gene and protein drug target

Acta Crystallogr D Biol Crystallogr. 2005 Apr;61(Pt 4):355-64. doi: 10.1107/S090744490403389X. Epub 2005 Mar 24.

Abstract

The Mycobacterium tuberculosis pyrR gene (Rv1379) encodes a protein that regulates the expression of pyrimidine-nucleotide biosynthesis (pyr) genes in a UMP-dependent manner. Because pyrimidine biosynthesis is an essential step in the progression of TB, the gene product pyrR is an attractive antitubercular drug target. The 1.9 A native structure of Mtb pyrR determined by the TB Structural Genomics Consortium facilities in trigonal space group P3(1)21 is reported, with unit-cell parameters a = 66.64, c = 154.72 A at 120 K and two molecules in the asymmetric unit. The three-dimensional structure and residual uracil phosphoribosyltransferase activity point to a common PRTase ancestor for pyrR. However, while PRPP- and UMP-binding sites have been retained in Mtb pyrR, a distinct dimer interaction among subunits creates a deep positively charged cleft capable of binding pyr mRNA. In silico screening of pyrimidine-nucleoside analogs has revealed a number of potential lead compounds that, if bound to Mtb pyrR, could facilitate transcriptional attenuation, particularly cyclopentenyl nucleosides.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Amino Acid Sequence
  • Antitubercular Agents / pharmacology
  • Bacterial Proteins / chemistry*
  • Bacterial Proteins / drug effects
  • Bacterial Proteins / metabolism
  • Binding Sites
  • Crystallization
  • Crystallography, X-Ray
  • Genes, Bacterial
  • Genes, Regulator
  • Ligands
  • Models, Molecular
  • Molecular Sequence Data
  • Mycobacterium tuberculosis / enzymology
  • Mycobacterium tuberculosis / genetics*
  • Pentosyltransferases / chemistry*
  • Pentosyltransferases / drug effects
  • Pentosyltransferases / metabolism
  • Phosphoribosyl Pyrophosphate / metabolism
  • Protein Structure, Quaternary
  • Repressor Proteins / chemistry*
  • Repressor Proteins / drug effects
  • Repressor Proteins / metabolism
  • Sequence Alignment
  • Uracil / metabolism
  • Uridine Monophosphate / metabolism

Substances

  • Antitubercular Agents
  • Bacterial Proteins
  • Ligands
  • Repressor Proteins
  • Uracil
  • Phosphoribosyl Pyrophosphate
  • Uridine Monophosphate
  • Pentosyltransferases
  • PyrR protein, bacteria
  • uracil phosphoribosyltransferase