Thermodynamic analysis of autonomous parallel beta-sheet formation in water

J Am Chem Soc. 2006 Jun 7;128(22):7148-9. doi: 10.1021/ja060942p.

Abstract

We report the first thermodynamic analysis of parallel beta-sheet formation in a model system that folds in aqueous solution. NMR chemical shifts were used to determine beta-sheet population, and van't Hoff anaysis provided thermodynamic parameters. Our approach relies upon the d-prolyl-1,1-dimethyl-1,2-diaminoethane unit to promote parallel beta-sheet formation between attached peptide strands. The development of a macrocyclic reference molecule to provide chemical shift data for the fully folded state was crucial to the quantitative anaylsis.

Publication types

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

MeSH terms

  • Models, Chemical*
  • Models, Molecular*
  • Protein Folding
  • Protein Structure, Secondary
  • Proteins / chemistry*
  • Thermodynamics*
  • Water / chemistry*

Substances

  • Proteins
  • Water