Elastic effects behind cooperative bonding in beta-sheets

J Am Chem Soc. 2004 Oct 13;126(40):13140-3. doi: 10.1021/ja0490626.

Abstract

We present extensive density functional theory calculations of the bonding between strands in beta-sheets. We identify a significant cooperative effect whereby the interaction increases in strength with the number of strands. We show that the effect is related to a coupling between interstrand bonding and intrastrand elastic properties. It is found that a direct consequence of this coupling is that the pitch of beta-sheets should contract with increasing number of strands, and we show that the effect can be observed directly in experimental data from the Protein Data Bank.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

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

Substances

  • Proteins