文章基本信息

标题：Simulating the dynamics of the mechanochemical cycle of myosin-V
本地全文：下载
作者：Shayantani Mukherjee ; Raphael Alhadeff ; Arieh Warshel 等
期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：2017
卷号：114
期号：9
页码：2259-2264
DOI：10.1073/pnas.1700318114
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：The detailed dynamics of the cycle of myosin-V are explored by simulation approaches, examining the nature of the energy-driven motion. Our study started with Langevin dynamics (LD) simulations on a very coarse landscape with a single rate-limiting barrier and reproduced the stall force and the hand-over-hand dynamics. We then considered a more realistic landscape and used time-dependent Monte Carlo (MC) simulations that allowed trajectories long enough to reproduce the force/velocity characteristic sigmoidal correlation, while also reproducing the hand-over-hand motion. Overall, our study indicated that the notion of a downhill lever-up to lever-down process (popularly known as the powerstroke mechanism) is the result of the energetics of the complete myosin-V cycle and is not the source of directional motion or force generation on its own. The present work further emphasizes the need to use well-defined energy landscapes in studying molecular motors in general and myosin in particular.
关键词：molecular motors ; chemomechanical coupling ; powerstroke ; cytoskeleton ; brownian ratchet