Early Stage P22 Viral Capsid Self-Assembly Mediated by Scaffolding Protein: Atom-Resolved Model and Molecular Dynamics Simulation

被引：6
作者：
Jiang, Jiajian [1 ]
Yang, Jing [1 ]
Sereda, Yuriy V. [1 ]
Ortoleva, Peter J. [1 ]
机构：
[1] Indiana Univ, Dept Chem, Ctr Theoret & Computat Nanosci, Bloomington, IN 47405 USA
来源：
JOURNAL OF PHYSICAL CHEMISTRY B | 2015年 / 119卷 / 16期
基金：
美国国家卫生研究院; 美国国家科学基金会;
关键词：
BACTERIOPHAGE P22; COAT PROTEIN; FUNCTIONAL DOMAINS; VIRUS; MATURATION; POLYMERIZATION; IDENTIFICATION; SUBUNITS; BINDING; STABILITY;
D O I：
10.1021/acs.jpcb.5b00303
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Molecular dynamics simulation of an atom-resolved bacteriophage P22 capsid model is used to delineate the underlying mechanism of early stage P22 self-assembly. A dimer formed by the C-terminal fragment of scaffolding protein with a new conformation is demonstrated to catalyze capsomer (hexamer and pentamer) aggregation efficiently. Effects of scaffolding protein/coat protein binding patterns and scaffolding protein concentration on efficiency, fidelity, and capsid curvature of P22 self-assembly are identified.
引用
收藏
页码：5156 / 5162
页数：7
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