Division of Molecular and Materials Simulation, Key Laboratory for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029, China.
J Phys Chem B. 2009 Oct 29;113(43):14431-8. doi: 10.1021/jp9053567.
In this work, a coarse-grained model for a kind of membrane protein, the mechanosensitive channel of small conductance (MscS), is proposed. The basic structure of the MscS is preserved when the protein is coarse-grained. For the coarse-grained model, the channels show two different states, namely the open and closed states, depending on the model parameters. Under the same membrane tension, the state of the ion channel is found to be critically determined by the protein structure, especially the length of the transmembrane alpha-helix. It is also found that for the protein with certain size, the gating transition occurs when the membrane tension is applied, resembling in a real mechanosensitive channel.
本文提出了一种针对一种膜蛋白——小电导机械敏感通道（MscS）的粗粒化模型。在对蛋白质进行粗粒化处理时，MscS 的基本结构得以保留。对于粗粒化模型，通道根据模型参数呈现出两种不同的状态，即开放状态和关闭状态。在相同的膜张力下，离子通道的状态被发现由蛋白质结构，特别是跨膜α螺旋的长度，起着至关重要的决定作用。研究还发现，对于具有一定大小的蛋白质，当施加膜张力时，门控跃迁会发生，类似于真实的机械敏感通道。
