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Thermodynamic analysis of autonomous parallel beta-sheet formation in water.

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.

SUBMITTER: Fisk JD

PROVIDER: S-EPMC2723805 | biostudies-literature | 2006 Jun

REPOSITORIES: biostudies-literature

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Thermodynamic analysis of autonomous parallel beta-sheet formation in water.

Fisk John D JD Schmitt Margaret A MA Gellman Samuel H SH

Journal of the American Chemical Society 20060601 22

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 fold ...[more]

PMID: 16734453

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