Tama Florence, Brooks Charles L
Department of Molecular Biology (TPC6), The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA.
J Mol Biol. 2005 Jan 14;345(2):299-314. doi: 10.1016/j.jmb.2004.10.054.
We analyze the mechanical properties and putative dynamical fluctuations of a variety of viral capsids comprising different sizes and quasi-equivalent symmetries by performing normal mode analysis using the elastic network model. The expansion of the capsid to a swollen state is studied using normal modes and is compared with the experimentally observed conformational change for three of the viruses for which experimental data exist. We show that a combination of one or two normal modes captures remarkably well the overall translation that dominates the motion between the two conformational states, and reproduces the overall conformational change. We observe for all of the viral capsids that the nature of the modes is different. In particular for the T=7 virus, HK97, for which the shape of the capsid changes from spherical to faceted polyhedra, two modes are necessary to accomplish the conformational transition. In addition, we extend our study to viral capsids with other T numbers, and discuss the similarities and differences in the features of virus capsid conformational dynamics. We note that the pentamers generally have higher flexibility and propensity to move freely from the other capsomers, which facilitates the shape adaptation that may be important in the viral life cycle.
我们通过使用弹性网络模型进行正常模式分析,来分析各种具有不同大小和准等效对称性的病毒衣壳的力学性质和假定的动态涨落。利用正常模式研究了衣壳向肿胀状态的扩展,并将其与三种有实验数据的病毒的实验观测到的构象变化进行了比较。我们表明,一个或两个正常模式的组合能够非常好地捕捉主导两种构象状态之间运动的整体平移,并再现整体构象变化。我们观察到所有病毒衣壳的模式性质都不同。特别是对于T = 7的病毒HK97,其衣壳形状从球形变为多面体,需要两个模式来完成构象转变。此外,我们将研究扩展到其他T值的病毒衣壳,并讨论病毒衣壳构象动力学特征的异同。我们注意到,五聚体通常具有更高的灵活性,并且更倾向于从其他衣壳粒自由移动,这有助于在病毒生命周期中可能很重要的形状适应。