Immucillins in custom catalytic-site cavities

Bioorg Med Chem Lett. 2008 Nov 15;18(22):5900-3. doi: 10.1016/j.bmcl.2008.08.047. Epub 2008 Aug 19.

Abstract

Neighboring-group participation in the reaction catalyzed by purine nucleoside phosphorylase involves a compression mode between the 5'- and 4'-ribosyl oxygens, facilitated by His257. The His257Gly mutant opens a space in the catalytic site. Hydrophobic 5'-substituted Immucillins are transition-state analogue inhibitors of this mutant enzyme. Dissociation constants as low as 2pM are achieved, with K(m)/K(d) as high as 400,000,000.

MeSH terms

  • Catalytic Domain*
  • Crystallography, X-Ray
  • Glycine / chemistry
  • Glycine / genetics
  • Histidine / chemistry
  • Histidine / genetics
  • Humans
  • Imidazoles / chemistry
  • Kinetics
  • Mutation
  • Protein Conformation
  • Purine Nucleosides / chemistry*
  • Purine-Nucleoside Phosphorylase* / chemistry
  • Purine-Nucleoside Phosphorylase* / genetics
  • Purine-Nucleoside Phosphorylase* / metabolism
  • Pyrimidinones / chemistry*
  • Structure-Activity Relationship

Substances

  • Imidazoles
  • Purine Nucleosides
  • Pyrimidinones
  • forodesine
  • Histidine
  • Purine-Nucleoside Phosphorylase
  • Glycine