UV Raman demonstrates that alpha-helical polyalanine peptides melt to polyproline II conformations

J Am Chem Soc. 2004 Jul 14;126(27):8433-40. doi: 10.1021/ja049518j.

Abstract

We examined the 204-nm UV Raman spectra of the peptide XAO, which was previously found by Shi et al.'s NMR study to occur in aqueous solution in a polyproline II (PPII) conformation. The UV Raman spectra of XAO are essentially identical to the spectra of small peptides such as ala(5) and to the large 21-residue predominantly Ala peptide, AP. We conclude that the non-alpha-helical conformations of these peptides are dominantly PPII. Thus, AP, which is highly alpha-helical at room temperature, melts to a PPII conformation. There is no indication of any population of intermediate disordered conformations. We continued our development of methods to relate the Ramachandran Psi-angle to the amide III band frequency. We describe a new method to estimate the Ramachandran Psi-angular distributions from amide III band line shapes measured in 204-nm UV Raman spectra. We used this method to compare the Psi-distributions in XAO, ala(5), the non-alpha-helical state of AP, and acid-denatured apomyoglobin. In addition, we estimated the Psi-angle distributions of peptide bonds which occur in non-alpha-helix and non-beta-sheet conformations in a small library of proteins.

Publication types

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

MeSH terms

  • Amides / chemistry
  • Chemical Phenomena
  • Chemistry, Physical
  • Peptides / chemistry*
  • Protein Conformation
  • Protein Structure, Secondary
  • Spectrophotometry, Ultraviolet
  • Spectrum Analysis, Raman / methods*
  • Temperature

Substances

  • Amides
  • Peptides
  • polyproline
  • polyalanine