A theoretical study of the stability of disulfide bridges in various β-sheet structures of protein segment models

Natalie J. Galant, Heeyeon Cheryl Song, Imre Jákli, Bela Viskolcz, Imre G. Csizmadia, Svend J. Knak Jensen, Andras Perczel

Research output: Article

4 Citations (Scopus)

Abstract

Electron structure calculations are used to explore stabilization effects of disulfide bridges in a (Ala-Cys-Ala-Cys-Ala)2 β-sheet model both in the parallel and the anti-parallel (103142 and 143102) arrangements. Stabilities were calculated using a redox reaction involving a weak oxidizing agent (1,4-benzoquinone). The results show that both inter- and intra-strand disulfide SS-bridges stabilize the β-sheet backbone fold. However, inter-strand SS-bridges give more stability than their intra-strand counterparts. For both single and double disulfide linked conformations, stabilization was larger for the parallel than for the anti-parallel β-sheet arrangements.

Original languageEnglish
Pages (from-to)48-54
Number of pages7
JournalChemical Physics Letters
Volume593
DOIs
Publication statusPublished - febr. 11 2014

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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