2023 Fiscal Year Final Research Report

Development of a method to measure protein structure under high pressure by constructing a deep-sea mimetic system

Research Project

PDF

Project/Area Number	21K18602
Research Category	Grant-in-Aid for Challenging Research (Exploratory)
Allocation Type	Multi-year Fund
Review Section	Medium-sized Section 13:Condensed matter physics and related fields
Research Institution	Kyoto University
Principal Investigator	Sugiyamama Masaaki 京都大学, 複合原子力科学研究所, 教授 (10253395)
Co-Investigator(Kenkyū-buntansha)	大田ゆかり群馬大学, 食健康科学教育研究センター, 講師 (40399572) 井上倫太郎京都大学, 複合原子力科学研究所, 准教授 (80563840)
Project Period (FY)	2021-07-09 – 2024-03-31
Keywords	中性子散乱 / 生体高分子ダイナミクス / 重水素化 / 分子動力学シミュレーション
Outline of Final Research Achievements	The solution structure analysis of GSJ under normal temperature and pressure was conducted using X-ray small-angle scattering and all-atom molecular dynamics simulations. The results revealed that under normal pressure, the movement of GSJ in solution is predominantly an open-close motion. Compared to multi-domain proteins that exhibit diverse movements, GSJ was found to have relatively simple internal movements. Furthermore, the solution structure analysis of GSJ under high pressure (100 MPa) was performed using neutron small-angle scattering and all-atom molecular dynamics simulations. The results, particularly from MD calculations, indicated that as the concentration of TMAO increased, it promoted the formation of hydrogen bonds within the FSS, contributing to a decrease in the fraction of water that does not form hydrogen bonds. This suggests that TMAO inhibits the intrusion of water into the protein interior.
Free Research Field	ナノ構造物理学
Academic Significance and Societal Importance of the Research Achievements	本研究は、常温でのGSJの溶液ダイナミクスを実験・計算の両面から解析し、その運動の特徴を明確にし、更に高圧下での構造の実測・MD計算による解析まで行っている。このようにタンパク質の構造・ダイナミクスを常温のみならず高圧まで行っている例は世界的に珍しく、本研究で行った手法は今後のタンパク質の構造・ダイナミクス研究において参考となる重要なものである。