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

作者：Galant Natalie J; Song Heeyeon Cheryl; Jakli Imre; Viskolcz Bela; Csizmadia Imre G; Jensen Svend J Knak^*; Perczel Andras

来源：Chemical Physics Letters, 2014, 593: 48-54.

DOI：10.1016/j.cplett.2013.12.065

Electron structure calculations are used to explore stabilization effects of disulfide bridges in a (Ala-Cys-Ala-Cys-Ala)(2) beta-sheet model both in the parallel and the anti-parallel (10(3) 14(2) and 14(3) 10(2)) 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 beta-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 beta-sheet arrangements.

• 出版日期2014-2-11