Computational and experimental determination of the alpha-helix unfolding reaction coordinate

Biochemistry
Eliana K AsciuttoJeffry D Madura

Abstract

We demonstrate a calculated alpha-helix peptide folding energy landscape which accurately simulates the first experimentally measured alpha-helix melting energy landscape. We examine a 21-amino acid, mainly polyalanine peptide and calculate the free energy along the Psi Ramachandran angle secondary folding coordinate. The experimental free energy landscape was determined using UV resonance Raman spectroscopy. The relative free energy values are very close as are the equilibrium peptide conformations. We find 2.3 kcal/mol activation barriers between the alpha-helix-like and PPII-like basins. We also find that the alpha-helix-like conformations are quite defective and the alpha-helix-like structure dynamically samples 310-helix and pi-bulges.

References

Jun 14, 1996·Journal of Molecular Biology·W S Young, C L Brooks
May 26, 1999·Proceedings of the National Academy of Sciences of the United States of America·W A Eaton
Nov 22, 2001·Journal of the American Chemical Society·S A AsherR Schweitzer-Stenner
Feb 28, 2002·Proceedings of the National Academy of Sciences of the United States of America·Angel E García, Kevin Y Sanbonmatsu
Oct 22, 2003·Proceedings of the National Academy of Sciences of the United States of America·Jack Schonbrun, Ken A Dill
Nov 18, 2003·Proceedings of the National Academy of Sciences of the United States of America·Hugh Nymeyer, Angel E García
Jul 9, 2004·Journal of the American Chemical Society·Sanford A AsherSergei Bykov
Jan 25, 2005·Biophysical Journal·Eric J Sorin, Vijay S Pande
Oct 4, 2005·Journal of Computational Chemistry·David A CaseRobert J Woods
Oct 19, 2006·Journal of the American Chemical Society·Aleksandr V Mikhonin, Sanford A Asher

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Citations

Aug 21, 2008·The Journal of Physical Chemistry. B·Bhavya SharmaSanford A Asher
Mar 27, 2010·Biophysical Journal·Eliana K AsciuttoJeffry D Madura
Feb 14, 2009·Chemical Communications : Chem Comm·Maxim V FedorovStephan Schumm
Aug 8, 2013·The Journal of Physical Chemistry. B·Filippos IoannouGeorgios Archontis
May 23, 2017·The Journal of Physical Chemistry. B·David PunihaoleSanford A Asher
Dec 17, 2008·The Journal of Physical Chemistry. B·Midas I-Hsien TsaiJ J Dannenberg

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