Discovery of 3-aminobenzyloxycarbonyl as an N-terminal group conferring high affinity to the minimal phosphopeptide sequence recognized by the Grb2-SH2 domain

J Med Chem. 1997 Oct 24;40(22):3551-6. doi: 10.1021/jm9702185.

Abstract

The observation that anthranilic acid as N-terminal group produces a dramatic increase of the binding affinity of the phosphopeptide sequence Glu-pTyr-Ile-Asn for the Grb2-SH2 domain was rationalized by molecular modeling. The model, which invokes a stacking interaction between the N-terminal group and the SH2 domain residue Arg alpha A2, was subsequently used to design the 3-aminobenzyloxycarbonyl N-terminal group. The latter confers high affinity (IC50 = 65 nM in an ELISA assay) to the minimal sequence pTyr-Ile-Asn recognized by the Grb2-SH2 domain.

MeSH terms

  • Adaptor Proteins, Signal Transducing*
  • Aniline Compounds / chemistry*
  • Binding Sites
  • GRB2 Adaptor Protein
  • Models, Molecular
  • Phosphopeptides / chemistry
  • Phosphopeptides / metabolism*
  • Protein Conformation
  • Proteins / metabolism*
  • Recombinant Proteins / chemistry
  • Recombinant Proteins / metabolism
  • src Homology Domains*

Substances

  • Adaptor Proteins, Signal Transducing
  • Aniline Compounds
  • GRB2 Adaptor Protein
  • Phosphopeptides
  • Proteins
  • Recombinant Proteins