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Investigation of the structural and dynamic basis of kinesin dissociation from microtubule by atomistic molecular dynamics simulations

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成果类型:
期刊论文
作者:
Wang, Jian-Gang;Shi, Xiao-Xuan;Liu, Yu-Ru;Wang, Peng-Ye;Chen, Hong;...
通讯作者:
Chen, H;Xie, P
作者机构:
[Wang, Jian-Gang; Chen, Hong; Shi, Xiao-Xuan; Chen, H] Cent South Univ Forestry & Technol, Sch Mat Sci & Engn, Changsha 410004, Peoples R China.
[Wang, Jian-Gang; Shi, Xiao-Xuan; Liu, Yu-Ru; Xie, Ping; Wang, Peng-Ye] Chinese Acad Sci, Inst Phys, Key Lab Soft Matter Phys, Beijing 100190, Peoples R China.
通讯机构:
[Chen, H ; Xie, P ] C
Cent South Univ Forestry & Technol, Sch Mat Sci & Engn, Changsha 410004, Peoples R China.
Chinese Acad Sci, Inst Phys, Key Lab Soft Matter Phys, Beijing 100190, Peoples R China.
语种:
英文
关键词:
kinesin;dissociation;energy landscape;molecular dynamics simulation
期刊:
中国物理B
ISSN:
1674-1056
年:
2022
卷:
31
期:
5
页码:
058702
机构署名:
本校为第一且通讯机构
院系归属:
材料科学与工程学院
摘要:
Kinesin is a molecular motor that can step processively on microtubules via the hydrolysis of ATP molecules. An important factor characterizing the processivity of the kinesin motor is its dissociation from the microtubule. Here, using all-atom molecular dynamics simulations, we studied the dissociation process of the kinesin head in weak-microtubulebinding or ADP state from tubulin on the basis of the available high-resolution structural data for the head and tubulin. By analyzing the simulated snapshots of the structure of the head-tubulin co...

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