Mechanistic Characters of Ion Permeation through Mechanosensitive Channels of Large Conductance: A Steered Molecular Dynamics Study
کد مقاله : 1097-PHYSCHEM20
وحید فدائی نائینی *1، مجید بنی اسدی2، معصومه فروتن3
1دانشکده مهندسی مکانیک، پردیس دانشکده های فنی، دانشگاه تهران
2هیات علمی
3استاد دانشگاه تهران
چکیده مقاله:
In this study, the permeation process of oppositely charged ions through mechanosensitive channels of large conductance is investigated using the steered molecular dynamics (SMD) simulation. The results suggest that the mechanism of interaction between the ion and the key residues of the channel can vary according to the ion charge. Since some of the mentioned amino acids exist in the interior pore of the other membrane proteins, studying the mechanism of interaction of these basic components with different substrates and their role in the gating process of the utmost importance. It was mentioned that Val21 sidechains interact with the ion as a selective filter in transmembrane domain.
کلیدواژه ها:
Ion Permeation; Mechanosensitive Channels of Large Conductance; Molecular Dynamics Simulation
وضعیت : مقاله برای ارائه به صورت پوستر پذیرفته شده است