Miao Yinglong, Hong Liang, Yi Zheng, Smith Jeremy C
University of Tennessee/Oak Ridge National Laboratory Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA.
Eur Phys J E Soft Matter. 2013 Jul;36(7):72. doi: 10.1140/epje/i2013-13072-5. Epub 2013 Jul 16.
A discussion is presented of contributions of the Zaccai group to the understanding of flexibility in biological macromolecules using dynamic neutron scattering. The concept of resilience as introduced by Zaccai is discussed and investigated using molecular dynamics simulation on camphor-bound cytochrome P450. The resilience of hydrophilic residues is found to be more strongly affected by hydration than that of hydrophobic counterparts. The hydration-induced softening of protein propagates from the surface into the dry core. Moreover, buried hydrophilic residues behave more like those exposed on the protein surface, and are different from their hydrophobic counterparts.
本文讨论了扎卡伊团队在利用动态中子散射理解生物大分子柔韧性方面所做的贡献。文中讨论并通过对结合樟脑的细胞色素P450进行分子动力学模拟研究了扎卡伊提出的弹性概念。结果发现，亲水残基的弹性比疏水残基受水合作用的影响更大。蛋白质因水合作用导致的软化从表面传播至干燥的核心区域。此外，埋藏的亲水残基的行为更类似于暴露在蛋白质表面的亲水残基，且与疏水残基不同。
