Influence of bulky side chains of amino acids on the solution conformation of peptide fragment (81–92) derivatives of CD4, TYICEVEDQKEE, as studied by NMR spectroscopy and molecular modeling

Abstract

Solution conformation of CD4 fragment 81–92 TYICEVEDQKEE and two of its benzylated analogues was determined by two-dimensional 1H NMR spectroscopy, distance geometry and simulated annealing techniques. The structures of both benzylated derivatives are similar but are distinct from that of wild-type dodecapeptide. It is concluded from structural analysis that bulky side chain(s) of amino acid(s) at an appropriate position can have a marked effect on the conformation and thus the functions of a peptide.