| VirB7去折叠的全原子分析 |
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| 引用本文： | 黄亚杰,魏文系,张健辉,王增辉,和二斌.VirB7去折叠的全原子分析[J].分子科学学报,2020(4):342-347,I0006. |
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| 作者姓名： | 黄亚杰 魏文系 张健辉 王增辉 和二斌 |
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| 作者单位： | 玉林师范学院物理与电信工程学院;玉林师范学院广西高校复杂系统优化与大数据处理重点实验室 |
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| 基金项目： | 广西自然科学基金资助项目(2018GXNSFAA281185);广西高校中青年教师基础能力提升项目(2019KY0586);玉林师范学院高层次人才科研启动项目(G2017005);国家级大学生创新创业训练计划项目(201810606057)。 |
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| 摘 要： | 采用分子动力学模拟的方法,对VirB7蛋白的球状结构域在550 K高温下的去折叠行为进行了统计分析.结果表明,VirB7蛋白球状结构域的去折叠过程以一条路径为主,多条路径并存,其去折叠过程的发生顺序依赖于其内部疏水残基的分布及其独特的三明治结构.该研究揭示了VirB7蛋白球状结构域在去折叠过程中动力学特征,对于揭示其生物学分子机制具有一定价值.
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| 关 键 词： | VirB7 去折叠 动力学模拟 |
Atomistic analysis of VirB7 unfolding |
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| HUANG Ya-jie,WEI Wen-xi,ZHANG Jian-hui,WANG Zeng-hui,HE Er-bin.Atomistic analysis of VirB7 unfolding[J].Journal of Molecular Science,2020(4):342-347,I0006. |
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| Authors: | HUANG Ya-jie WEI Wen-xi ZHANG Jian-hui WANG Zeng-hui HE Er-bin |
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| Institution: | (School of Physics and Telecommunications Engineering,Yulin Normal University,Yulin 537000,China;Guangxi Universities Key Lab of Complex System Optimization and Big Data Processing,Yulin Normal University,Yulin 537000,China) |
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| Abstract: | In this study,molecular dynamics simulation was used to analyze the unfolding behavior of VirB7 protein at 550 K.The results show that the unfolding process of VirB7 globular domain is mainly in one pathway and multiple pathways coexist.The sequence of unfolding events depends on the distribution of hydrophobic residues and its unique sandwich structure.This study reveals the dynamic characteristics of VirB7 globular domain in the process of unfolding,which is of certain value for revealing its biological molecular mechanism. |
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| Keywords: | VirB7 unfolding dynamics simulation |
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