科研之友
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摘要
Pentameric ligand-gated ion channels belong to an important family of membrane proteins and play key roles in physiological processes. Based on the X-ray structure of prokaryotic pentameric ligand-gated ion channels from Gloebacter violaceus (GLIC), we performed a total of 1.05 mu s coarse-grained molecular simulations, combining with atomic-level molecular simulation, and observed the pore closure and corresponding quaternary twist. We found that the pore closure by a concerted motion of rotating-tilting (toward the pore) of helices M2. Combining with previous experimental results, a model of describing the conformational transition for channel gating process is derived from our simulations: the top of the M2 helix occurs large conformational fluctuations, followed by a global conformational changes of the whole subunit; this process passes from one subunit to the neighbor one, finally, leading to the entire channel conformational changes, such as a "chain-reaction".
- 出版日期2011-7-28
- 单位吉林大学
