Initial conformation of kinesin’s neck linker

doi:10.1088/1674-1056/23/10/108701

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.

Keywords: kinesin neck linker molecular dynamics simulation

Received: 12 April 2014
Revised: 20 May 2014
Accepted manuscript online:

PACS:	87.16.Nn	(Motor proteins (myosin, kinesin dynein))
	87.10.Tf	(Molecular dynamics simulation)
	87.15.hp	(Conformational changes)

Fund: 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.

Corresponding Authors: Ji Qing
E-mail: jiqingch@hebut.edu.cn;yansw@bnu.edu.cn

About author: 87.16.Nn; 87.10.Tf; 87.15.hp

Cite this article:

Geng Yi-Zhao (耿轶钊), Ji Qing (纪青), Liu Shu-Xia (刘书霞), Yan Shi-Wei (晏世伟) Initial conformation of kinesin’s neck linker 2014 Chin. Phys. B 23 108701


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