Anion permeation mechanism of aquaporin 6

2019 Fiscal Year Final Research Report

• Project/Area Number: 18K13517
• Research Category: Grant-in-Aid for Early-Career Scientists
• Allocation Type: Multi-year Fund
• Review Section: Basic Section 13040:Biophysics, chemical physics and soft matter physics-related
• Research Institution: Keio University
• Principal Investigator: Yamamoto Eiji 慶應義塾大学, 理工学部(矢上), 助教 (00779340)
• Project Period (FY): 2018-04-01 – 2020-03-31
• Keywords: アクアポリン / 分子動力学計算 / 分子透過 / 細胞膜 / 浸透圧 / アニオン透過 / 水透過 / タンパク質立体構造予測

Outline of Final Research Achievements

Molecular dynamics simulations were performed to elucidate the molecular mechanism of selective permeation of molecules through aquaporins. The structure model of aquaporin 6, which is known as an anion channel, was predicted by a homology modeling because its structure has not been reported experimentally. The stability of the predicted protein conformation in a biological membrane was confirmed by simulations. Furthermore, we clarified the permeation pathway of chloride ions in the aquaporin 6, and that the packing of water molecules into the permeation pathway is important for the ion permeation event.

Free Research Field

生物物理

Academic Significance and Societal Importance of the Research Achievements

立体構造予測法および分子動力学シミュレーション法を実験による立体構造の報告がない膜貫通タンパク質へ適応し，タンパク質による分子の選択的透過機構を分子レベルで明らかにしたことは，学術的意義がある．アクアポリンは高速かつ選択的な分子透過を実現している膜貫通タンパク質であり，そのようなタンパク質の分子透過機構の解明は，淡水化技術への応用を見据えたナノスケール細孔の開発にも繋がり，学術的・社会的に意義がある．