Molecular dynamics study on protein-water interplay in the mechanogating of the bacterial mechanosensitive channel MscL.

ABSTRACT: One of the goals of mechanosensitive channel (MSC) studies is to understand the underlying molecular and biophysical mechanisms of the mechano-gating process from force sensing to gate opening. We focus on the latter process and investigate the role of water in the bacterial MSC MscL, which is activated by membrane tension. We analyze the interplay between water and the gate-constituting amino acids, Leu19-Gly26, through molecular dynamics simulations. To highlight the role of water, specifically hydration of the gate, in MscL gating, we restrain lateral movements of the water molecules along the water-vapor interfaces at the top and bottom of the vapor bubble, plugging the closed gate. The gating behaviors in this model and the normal MscL model, in which water movements are unrestrained,

SUBMITTER: Sawada Y 

PROVIDER: S-EPMC4562998 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature