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第 36 卷 第 6 期, pp.157-201  (2016) [ 45页 ]


河北工业大学理学院; 北京师范大学核科学与技术学院


2017/01/19 发布

Neck linker’s docking process and the force generation mechanism of kinesin are the fundamental subjects for unveiling structure-function relation of kinesin, understanding the ubiquitous high efficient energy-transformation mechanism and the exqusite coordination mechanism in biological systems, as well as the basis of movements of biological molecules in life processes. In this paper, we systematically studied and analyzed such two subjects. With the aid of molecular dynamics simulations, we obtained the proper structure of kinesin’s nucleotide-free leading head. Based on this structure, we analyzed the initiation mechanism and realization process of the neck linker’s docking process, and the dynamical pathway from ATP binding induced motor head rotation to neck linker docking. We dynamically realized the neck linker’s docking process of kinesin and clarified the initiation mechanism, realization mechanism of neck linker’docking process, the force generation mechanism and the gating mechanism in its mechanochemical cycle. We also proposed the possible experimental schemes to verify some key results found in our theoretical discussions. We believe that the results reported in this paper provide voluble information for understanding the kinesin’s structure-function relation, force generation mechanism, working principle and energy-transformation mechanism.

全文: [PDF]
中图分类号: O41; Q61
关键词: 驱动蛋白; 分子动力学模拟; 颈链对接机制; 力学化学循环调控机制;力产生机制
Kinesin; Molecular dynamics simulation; Neck linker’s docking mechanism; Mechnochemical cycle coordination mechanism; Force generation mechanism