Mechanical Activation of MscL Revealed by a Locally Distributed Tension Molecular Dynamics Approach.

ABSTRACT: Membrane tension perceived by mechanosensitive (MS) proteins mediates cellular responses to mechanical stimuli and osmotic stresses, and it also guides multiple biological functions including cardiovascular control and development. In bacteria, MS channels function as tension-activated pores limiting excessive turgor pressure, with MS channel of large conductance (MscL) acting as an emergency release valve preventing cell lysis. Previous attempts to simulate gating transitions in MscL by either directly applying steering forces to the protein or by increasing the whole-system tension were not fully successful and often disrupted the integrity of the system. We present a novel, to our knowledge, locally distributed tension molecular dynamics (LDT-MD) simulation method that allows applicatio

SUBMITTER: Rajeshwar T R 

PROVIDER: S-EPMC7840420 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature