高等学校化学学报

高等学校化学学报 ›› 2009, Vol. 30 ›› Issue (10): 2055.

• 研究论文 • 上一篇    下一篇

恢复蛋白Recoverin正则模式分析的理论研究

李吉来1,2, 耿彩云2, 步宇翔1, 陈效华1, 王军1, 黄旭日2, 孙家锺2   

  1. 1. 山东大学化学与化工学院, 胶体与界面化学教育部重点实验室, 济南 250100;
    2. 吉林大学理论化学研究所, 理论化学计算国家重点实验室, 长春 130021
  • 收稿日期:2008-09-10 出版日期:2009-10-10 发布日期:2009-10-10
  • 通讯作者: 黄旭日, 男, 博士, 教授, 博士生导师, 主要从事理论化学方面的研究. E-mail: huangxr@mail.jlu.edu.cn
  • 基金资助:

    国家自然科学基金(批准号: 20773048, 200702019, 20070421075)、山东省博士后创新基金和中国博士后科学基金资助.

Theoretical Investigation of Recoverin′s Normal Mode Analysis

LI Ji-Lai1,2, GENG Cai-Yun2, BU Yu-Xiang1, CHEN Xiao-Hua1, WANG Jun1, HUANG Xu-Ri2*, SUN Chia-Chung2   

  1. 1. Key Laboratory of Colloid and Interface Chemistry, Ministry of Education, College of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China;
    2. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, China
  • Received:2008-09-10 Online:2009-10-10 Published:2009-10-10
  • Contact: HUANG Xu-Ri. E-mail: huangxr@mail.jlu.edu.cn
  • Supported by:

    国家自然科学基金(批准号: 20773048, 200702019, 20070421075)、山东省博士后创新基金和中国博士后科学基金资助.

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被引次数

3

摘要：

采用旋转平移块方法对Ca2+/豆蔻酰基开关进行了正则模式分析(NMA). 研究结果表明, 恢复蛋白(Recoverin)的T态的N-末端与C-末端易于发生刚体逆向旋转, 一旦结合Ca2+, 很容易发生构象变化, 形成具有双向构象转变特征的I态. I态是一个中间结构, 既可以发生构象回转到T态, 又可以继续相对旋转到R态, 使豆蔻酰基完全暴露, 从而行使其信号传导生物功能. 从低频振动模式分析可以看出, 恢复蛋白具有构象转变这一本质属性.

关键词: 变构过程; 信号传导; 正则模式分析; 低频振动

Abstract:

Recoverin is an important branch of neuronal calcium sensor. It had been shown recently that half of the known protein movements can be modelled by using at most two low-frequency normal modes. Hence, we investigated their normal modes by rotational translational block method in order to give a deep insight into the nature of the Ca2+-myristoyl switch conformational transition. The normal mode perturbed models of reco-verin T-state revealed that the overall motion of the first lowest mode could be described approximately as a converse-rigid-body-swivel around the inter-domain linker. While in the one Ca2+-bound structure, in addition to the converse-rigid-body-swivel motion, an exposure of the myristoyl group is also detected, which was proposed as bidirectional conformational transition across the domain interface and facilitates the allosteric transition in signal-transduction processes. These observations indicate that recoverin is intrinsically dynamic.

Key words: Allosteric process; Signal transduction; Normal mode analysis; Low frequency vibration

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