中国物理B ›› 2014, Vol. 23 ›› Issue (10): 108701-108701.doi: 10.1088/1674-1056/23/10/108701

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇    下一篇

Initial conformation of kinesin’s neck linker

耿轶钊a, 纪青b, 刘书霞b, 晏世伟a c   

  1. a College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, China;
    b Institute of Biophysics, Hebei University of Technology, Tianjin 300401, China;
    c Beijing Radiation Center, Beijing 100875, China
  • 收稿日期:2014-04-12 修回日期:2014-05-20 出版日期:2014-10-15 发布日期:2014-10-15
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 10975044 and 10975019), the Foundation of the Ministry of Personnel of China for Returned Scholars (Grant No. MOP2006138), the Fundamental Research Funds for the Central University, and the Key Subject Construction Project of Hebei Provincial Universities.

Initial conformation of kinesin’s neck linker

Geng Yi-Zhao (耿轶钊)a, Ji Qing (纪青)b, Liu Shu-Xia (刘书霞)b, Yan Shi-Wei (晏世伟)a c   

  1. a College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, China;
    b Institute of Biophysics, Hebei University of Technology, Tianjin 300401, China;
    c Beijing Radiation Center, Beijing 100875, China
  • Received:2014-04-12 Revised:2014-05-20 Online:2014-10-15 Published:2014-10-15
  • Contact: Ji Qing E-mail:jiqingch@hebut.edu.cn;yansw@bnu.edu.cn
  • About author:87.16.Nn; 87.10.Tf; 87.15.hp
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 10975044 and 10975019), the Foundation of the Ministry of Personnel of China for Returned Scholars (Grant No. MOP2006138), the Fundamental Research Funds for the Central University, and the Key Subject Construction Project of Hebei Provincial Universities.

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摘要： How ATP binding initiates the docking process of kinesin's neck linker is a key question in understanding kinesin mechanisms. By exploiting a molecular dynamics method, we investigate the initial conformation of kinesin's neck linker in its docking process. We find that, in the initial conformation, the neck linker has interactions with β0 and forms a 'cover-neck bundle' structure with β0. From this initial structure, the formation of extra turns and the docking of the cover-neck bundle structure can be achieved. The motor head provides a forward force on the initial cover-neck bundle structure through ATP-induced rotation. This force, together with the hydrophobic interaction of ILE327 with the hydrophobic pocket on the motor head, drives the formation of the extra turn and initiates the neck linker docking process. Based on these findings, a pathway from ATP binding-induced motor head rotation to neck linker docking is proposed.

关键词: kinesin, neck linker, molecular dynamics simulation

Abstract: How ATP binding initiates the docking process of kinesin's neck linker is a key question in understanding kinesin mechanisms. By exploiting a molecular dynamics method, we investigate the initial conformation of kinesin's neck linker in its docking process. We find that, in the initial conformation, the neck linker has interactions with β0 and forms a 'cover-neck bundle' structure with β0. From this initial structure, the formation of extra turns and the docking of the cover-neck bundle structure can be achieved. The motor head provides a forward force on the initial cover-neck bundle structure through ATP-induced rotation. This force, together with the hydrophobic interaction of ILE327 with the hydrophobic pocket on the motor head, drives the formation of the extra turn and initiates the neck linker docking process. Based on these findings, a pathway from ATP binding-induced motor head rotation to neck linker docking is proposed.

Key words: kinesin, neck linker, molecular dynamics simulation

中图分类号:  (Motor proteins (myosin, kinesin dynein))

  • 87.16.Nn
87.10.Tf (Molecular dynamics simulation) 87.15.hp (Conformational changes)