CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
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The Structural Stability of Alpha-Helix Determined by the Preference of Amino Acids |
Xiao-Xiao Xie1‡, Jun-Wei Li1‡, Shao-Ying Xiao2, Yu-Zhi Liu3, Hui Liu1, Jin-Peng Geng1, Su-Hua Zhang1, Hui Yu1, Yong Zhan1**, Hai-Long An1** |
1Key Laboratory of Molecular Biophysics, Institute of Biophysics, School of Sciences, Hebei University of Technology, Tianjin 300401 2School of Architecture & Art Design, Hebei University of Technology, Tianjin 300401 3School of Electrical and Electronics Engineering, Shijiazhuang Tiedao University, Shijiazhuang 050043
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Cite this article: |
Xiao-Xiao Xie, Jun-Wei Li, Shao-Ying Xiao et al 2016 Chin. Phys. Lett. 33 028701 |
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Abstract To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secondary structure is still unclear. Here we perform molecular simulations on a series of helical structures. Our data show that the dissociation energy of the helical structure is related to the preference of amino acids, and the electrostatic repulsion of the residue $i$ and $i+3/4$ with the same sign of charge destabilizes the alpha helix.
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Received: 27 July 2015
Published: 26 February 2016
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[1] Mori M X, Vander Kooi C W, Leahy D J et al 2008 Structure 16 607 [2] Van Petegem F, Chatelain F C and Minor D L Jr 2005 Nat. Struct. Mol. Biol. 12 1108 [3] Fallon J L and Quiocho F A 2003 Structure 11 1303 [4] Xu X, Zhao J, Xu Z et al 2004 J. Biol. Chem. 279 33946 [5] Tao X, Avalos J L, Chen J et al 2009 Science 326 1668 [6] Hansen S B, Tao X and MacKinnon R 2011 Nature 477 495 [7] Whorton M R and MacKinnon R 2011 Cell 147 199 [8] Lu H and Schulten K 1999 Proteins 35 453 [9] Guex N and Peitsch M C 1997 Electrophoresis 18 2714 [10] Schwede T, Kopp J, Guex N et al 2003 Nucl. Acids Res. 31 3381 [11] Arnold K, Bordoli L, Kopp J et al 2006 Bioinformatics 22 195 [12] Phillips J C, Braun R, Wang W et al 2005 J. Comput. Chem. 26 1781 [13] MacKerell A D, Bashford D, Bellott M et al 1998 J. Phys. Chem. B 102 3586 [14] Li J, Lü S, Liu Y et al 2015 Sci. Rep. 5 11289 [15] Li J W, Xiao S Y, Xie X X et al 2015 Chin. Phys. Lett. 32 028702 [16] Jarzynski C 1997 Phys. Rev. Lett. 78 2690 [17] Jarzynski C 1997 Phys. Rev. E 56 5018 [18] Humphrey W, Dalke A and Schulten K 1996 J. Mol. Graphics 14 33 |
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