Elucidation of "rock-paper-scissors" mechanism of ABC transporters by molecular simulations

2014 Fiscal Year Final Research Report

• Project/Area Number: 25870220
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Life / Health / Medical informatics; Biophysics
• Research Institution: Tokyo Institute of Technology
• Principal Investigator: FURUTA TADAOMI 東京工業大学, 大学院生命理工学研究科, 助教 (10431834)
• Project Period (FY): 2013-04-01 – 2015-03-31
• Keywords: ABCトランスポーター / ATP / 基質 / 輸送 / カップリングヘリックス / 分子シミュレーション / 構造変化 / 構造機能相関

Outline of Final Research Achievements

ATP-binding cassette (ABC) transporters constitute a large superfamily of integral membrane proteins that transport several substrates through cellular membranes using the energy of binding, hydrolysis, and release of ATP. In this study, we investigated the roles of coupling helices (CHs) and the effect of ATP for bacterial ABC transporters MsbA and TM287/288 as targets by molecular simulations. Compering the wild type and CH mutants, we revealed the roles of each CH on conformational changes and the effect of the binding of ATP. These findings provide important insight into the structure-function relationship of ABC transporters.

Free Research Field

生物物理学