Generalized structural polymorphism in self-assembled viral particles.
Generalized structural polymorphism in self-assembled viral particles.
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DOI：
10.1021/nl802828v
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发表时间：
2008-12
期刊：
影响因子：
10.8
通讯作者：
Brooks CL 3rd
中科院分区：
文献类型：
--
作者：
Nguyen HD;Brooks CL 3rd
几乎所有球形病毒的蛋白质外壳（称为衣壳）都采用二十面体对称;然而，这种空结构的自组装通常会发生多个错误组装步骤，导致形成异常结构。使用代表在两种不同的预定物种中预组装的外壳蛋白的简单模型，所述两种不同的预定物种是病毒衣壳的共同基序（即，五聚体和六聚体衣壳），我们进行了不同大小的病毒衣壳的自发自组装的分子动力学模拟，所述病毒衣壳在其二十面体重复单元中含有1、3、4至19个蛋白质（分别为T=1、3、4至19）。我们观察到，除了二十面体衣壳，各种非二十面体但高度有序和封闭的胶囊。这种结构多态性被证明是外壳蛋白的固有特性，独立于衣壳的复杂性和基本的动力学机制。此外，存在两种不同类型的多态性结构：在T=1-7系统中，大于其各自的二十面体衣壳的异常胶囊;以及当T=7-19时，小于其各自的二十面体衣壳的胶囊。负责这些类的异常结构的自组装不同的动力学机制被破译，提供洞察到二十面体衣壳的自组装的控制。
The protein shells, called capsids, of nearly all spherical viruses adopt icosahedral symmetry; however, self-assembly of such empty structures often occurs with multiple mis-assembly steps resulting in the formation of aberrant structures. Using simple models that represent the coat proteins pre-assembled in the two different predetermined species that are common motifs of viral capsids (i.e., pentameric and hexameric capsomers), we perform molecular dynamics simulations of the spontaneous self-assembly of viral capsids of different sizes containing 1, 3, 4 to 19 proteins in their icosahedral repeating unit (T=1, 3, 4 to 19, respectively). We observe, in addition to icosahedral capsids, a variety of non-icosahedral yet highly ordered and enclosed capsules. Such structural polymorphism is demonstrated to be an inherent property of the coat proteins, independent of the capsid complexity and the elementary kinetic mechanisms. Moreover, there exist two distinctive classes of polymorphic structures: aberrant capsules that are larger than their respective icosahedral capsids, in T=1-7 systems; and capsules that are smaller than their respective icosahedral capsids when T=7-19. Different kinetic mechanisms responsible for self-assembly of those classes of aberrant structures are deciphered, providing insights into the control of the self-assembly of icosahedral capsids.
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影响因子：
2.9
作者：
Ceres, P;Zlotnick, A
通讯作者：
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影响因子：
3.7
作者：
BANCROFT, JB;BRACKER, CE;WAGNER, GW
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