A Simulation Study on the Mechanism of Membrane Voltage Depended Protein VSOP

2017 Fiscal Year Final Research Report

• Project/Area Number: 15K07037
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Biophysics
• Research Institution: Kindai University
• Principal Investigator: Yonezawa Yasushige 近畿大学, 先端技術総合研究所, 教授 (40248753)
• Co-Investigator(Kenkyū-buntansha): 鷹野 優 広島市立大学, 情報科学研究科, 教授 (30403017)
• Co-Investigator(Renkei-kenkyūsha): NAKAGAWA Atushi 大阪大学, 蛋白質研究所, 教授 (20188890) ; OKAMURA Yasushi 大阪大学, 医学研究科, 教授 (80201987) ; TAKESITA Kouhei 大阪大学, 蛋白質研究所, 特任助教 (80346808)
• Project Period (FY): 2015-04-01 – 2018-03-31
• Keywords: 生体膜間物質輸送 / 分子動力学シミュレーション / プロトン透過

Outline of Final Research Achievements

Voltage Sensor Only Protein (VSOP) having simple and small structure would be a superior model system than the Kv-channel protein to elucidate a material transport molecular mechanism across bio-membrane.
We studied the mechanism of VSOP using molecular dynamics simulation method. We then focused the voltage-dependent proton conduction mechanism. On the basis of the hypothesis where for activation, S4 helix vertically moves against membrane, we constructed a lots of VSOP structures with different S4 configurations by molecular modeling and long-time molecular dynamics simulations.　　　We then obtained several important structures. An open structure candidate of VSOP which shows proton conduction pass along with typical salt-bridges between Arginine and Glutamine, also a structure candidate of closed VSOP which indicates completely inhibition of water transporting. Those structures should be useful to investigate the intrinsic transporting mechanism of membrane proteins.

Free Research Field

生物物理