New Structural insights into Kir channel gating from molecular simulations, HDX-MS and functional studies.

ABSTRACT: Inward rectifier potassium (Kir) channels play diverse and important roles in shaping action potentials in biological membranes. An increasing number of diseases are now known to be directly associated with abnormal Kir function. However, the gating of Kir still remains unknown. To increase our understanding of its gating mechanism, a dynamical view of the entire channel is essential. Here the gating activation was studied using a recent developped in silico method, MDeNM, which combines normal mode analysis and molecular dynamics simulations that showed for the very first time the importance of interrelated collective and localized conformational movements. In particular, we highlighted the role played by concerted movements of the different regions throughout the entire protein, such as

SUBMITTER: Fagnen C 

PROVIDER: S-EPMC7242327 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature