Catalytic mechanism of the enzymatic hydrolysis of biodegradable plastics

2008 Fiscal Year Final Research Report

• Project/Area Number: 19750126
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Single-year Grants
• Research Field: Environmental chemistry
• Research Institution: Nagoya University (2008); Hiroshima University (2007)
• Principal Investigator: SAKAE Yoshitake Nagoya University, 大学院・理学研究科, 研究員 (20397988)
• Project Period (FY): 2007 – 2008
• Keywords: 生分解性物質 / 生分解性プラスチック / 酵素反応 / QM / MM / 触媒反応 / 加水分解

Research Abstract

本研究では, 生分解性プラスチックをこれまで知られている酵素よりも効果的に分解することが知られている酵素CLE(Cutinase-like enzyme)について計算化学的アプローチによる解析をおこなった。その結果, Thr17の側鎖の水酸基が触媒反応全体を安定化させ, さらに酵素の活性部位付近に存在する結合水が, 触媒反応全体の安定化に加えてこれまで律速過程であると考えられていた反応をより安定化させることが新たに分かった。

Research Products

• [Journal Article] ONIOM study of the mechanism of the enzymatic hydrolysis of biodegradable plastics (2009)
  • Author(s): Y. Sakae, T. Matsubara, M. Aida, H. Kondo, K. Masaki, H. Iefuji
  • Journal Title: Bulletin of the Chemical Society of Japan 82 Pages: 338-346
  • Peer Reviewed
• [Journal Article] Kinetic investigations of the process of encapsulation of small hydrocarbonsinto a cavitand-porphyrin (2007)
  • Author(s): J. Nakazawa, Y. Sakae, M. Aida, Y. Naruta
  • Journal Title: Journal of Organic Chemistry 72 Pages: 9448-9455
  • Peer Reviewed
• [Presentation] Comparison and optimization ofbackbone-torsion-energy parameters for protein systems (2009)
  • Author(s): 榮慶丈
  • Organizer: 「揺らぎと生体機能」第2回公開シンポジウム
  • Place of Presentation: 岡崎
  • Year and Date: 2009-03-16
• [Presentation] 2次元フーリエ級数による主鎖二面角のエネルギー項を用いたタンパク質系のシミュレーション (2008)
  • Author(s): 榮慶丈
  • Organizer: 日本生物物理学会第46回年会
  • Place of Presentation: 福岡
  • Year and Date: 2008-12-04
• [Presentation] Molecular simulations using a new torsion-energy term for protein systems (2008)
  • Author(s): Y. Sakae
  • Organizer: International Symposium on Frontiers of Computational Science 2008
  • Place of Presentation: 名古屋
  • Year and Date: 2008-11-28
• [Presentation] Development of the energy term of main-chain dihedral angles for protein systems (2008)
  • Author(s): Y. Sakae
  • Organizer: 「実在系の分子理論」第2回国際会議
  • Place of Presentation: 岡崎
  • Year and Date: 2008-08-04
• [Presentation] Molecular simulations using a backbone-torsion energy term by a double Fourier series (2008)
  • Author(s): Y. Sakae
  • Organizer: 1st International Conference of The Grand Challenge to Next Generation Integrated Nanoscience
  • Place of Presentation: 東京
  • Year and Date: 2008-06-07
• [Presentation] CLE酵素による生分解性プラスチックの分解機構 (2007)
  • Author(s): 榮慶丈
  • Organizer: 生物物理第45回年会
  • Place of Presentation: 横浜
  • Year and Date: 2007-12-21
• [Presentation] 生分解性プラスチック分解酵素CLEの触媒機構 (2007)
  • Author(s): 榮慶丈
  • Organizer: 第4回ナノ・バイオ・インフォ化学シンポジウム
  • Place of Presentation: 広島
  • Year and Date: 2007-12-01
• [Presentation] Catalytic reaction of the cutinase-like enzyme that degrades the biodegradable plastics (2007)
  • Author(s): 榮慶丈
  • Organizer: CBI学会2007年大会
  • Place of Presentation: 広島
  • Year and Date: 2007-10-03
• [Remarks] Y. Sakae, Y. Okamoto, Molecular simulations using a new torsion-energy term for protein systems, Proceedings of the International Symposium on Frontiers of Computational Science 2008, Y. Kaneda, M. Sasai, K. Tachibana (eds.) 213-220 (2008)