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Identification of the relationship between protein structural changes and ligand binding on the basis of 3D protein structures

Research Project

Project/Area Number 20370063
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Biophysics
Research InstitutionYokohama City University

Principal Investigator

KIDERA Akinori  Yokohama City University, 生命ナノシステム科学研究科, 教授 (00186280)

Co-Investigator(Renkei-kenkyūsha) OTA Motonori  名古屋大学, 情報科学研究科, 教授 (40290895)
Project Period (FY) 2008 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥19,240,000 (Direct Cost: ¥14,800,000、Indirect Cost: ¥4,440,000)
Fiscal Year 2010: ¥7,540,000 (Direct Cost: ¥5,800,000、Indirect Cost: ¥1,740,000)
Fiscal Year 2009: ¥7,540,000 (Direct Cost: ¥5,800,000、Indirect Cost: ¥1,740,000)
Fiscal Year 2008: ¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Keywords構造・機能予測 / タンパク質ダイナミクス / タンパク質立体構造データ / 基質結合→構造変化 / データベース / 線形応答理論 / 二面角形ダイナミクス / タンパク質-タンパク質間相互作用 / タンパク質・タンパク質間相互作用
Research Abstract

Protein structural changes are described based on the linear response theory as a response to the perturbation such as ligand binding. This theory succeeded to predict various cooperative structural changes upon ligand binding. First, to improve the accuracy of the prediction, we have extended the theory in terms of the Cartesian coordinates to the one in the dihedral angles. Then, by developing the method calculating the response function in the linear response theory by the elastic network model, we can exhaustively apply the theory to numerous protein structures in the database. Using this method, we successfully carried out the database analysis of the causal relationship between protein structural changes and ligand binding.

Report

(4 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report
  • 2008 Annual Research Report
  • Research Products

    (25 results)

All 2011 2010 2009 2008

All Journal Article (10 results) (of which Peer Reviewed: 10 results) Presentation (13 results) Book (2 results)

  • [Journal Article] Classification and annotation of the relationship between protein structural change and ligand binding2011

    • Author(s)
      T. Amemiya, R. Koike, S. Fuchigami, M. Ikeguchi, A. Kidera
    • Journal Title

      J.Mol.Biol. 408

      Pages: 568-584

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Protein Functional Motions : Basic Concepts and Computational Methodologies2011

    • Author(s)
      S. Fuchigami, H. Fujisaki, Y. Matsunaga, A. Kidera
    • Journal Title

      Adv.Chem.Phys. 145

      Pages: 35-82

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] rotein Functional Motions : Basic Concepts and Computational Methodologies2011

    • Author(s)
      S.Fuchigami, H.Fujisaki, Y.Matsunaga, A.Kidera
    • Journal Title

      Adv.Chem.Phys.

      Volume: 145 Pages: 35-82

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Classification and annotation of the relationship between protein structural change and ligand binding2011

    • Author(s)
      T.Amemiya, R.Koike, S.Fuchigami, M.Ikeguchi, A.Kidera
    • Journal Title

      J.Mol.Biol.

      Volume: 408 Pages: 568-584

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Normal mode analysis of protein dynamics in a non-Eckart frame2010

    • Author(s)
      S. Fuchigami, S. Omori, M. Ikeguchi, A. Kidera
    • Journal Title

      J.Chem.Phys. 132

      Pages: 1041091-7

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Latent dynamics of a protein molecule observed in dihedral angle space2010

    • Author(s)
      S. Omori, S. Fuchigami, M. Ikeguchi, A. Kidera
    • Journal Title

      J.Chem Phys 132

      Pages: 1151031-7

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Normal mode analysis of protein dynamics in a non-Eckart frame2010

    • Author(s)
      S.Fuchigami, S.Omori, M.Ikeguchi, A.Kidera
    • Journal Title

      J.Chem.Phys. 132

      Pages: 1041091-7

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Latent dynamics of a protein molecule observed in dihedral angle space2010

    • Author(s)
      S.Omori, S.Fuchigami, M.Ikeguchi, A.Kidera
    • Journal Title

      J.Chem.Phys. 132

      Pages: 1151031-7

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Linear response theory in dihedral angle space for protein structural change upon ligand binding2009

    • Author(s)
      S. Omori, S. Fuchigami, M. Ikeguchi, A. Kidera
    • Journal Title

      J.Comput.Chem. 30

      Pages: 2602-2608

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Linear response theory in dihedral angle space for protein structural change upon ligand binding2009

    • Author(s)
      大森聡, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Journal Title

      Journal of Computational Chemistry 30(印刷中)

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] Compensating dynamics of a protein molecule observed in dihedral angle space2010

    • Author(s)
      大森聡, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      第48回日本生物物理学会年会
    • Place of Presentation
      仙台
    • Year and Date
      2010-09-22
    • Related Report
      2010 Final Research Report
  • [Presentation] Database analysis of protein structural changes upon ligand binding2010

    • Author(s)
      雨宮崇之, 小池亮太郎, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      第48回日本生物物理学会年会
    • Place of Presentation
      仙台
    • Year and Date
      2010-09-20
    • Related Report
      2010 Final Research Report
  • [Presentation] Database analysis of protein structural changes upon ligand binding2010

    • Author(s)
      T.Amemiya, R.Koike, S.Fuchigami, M.Ikeguchi, A.Kidera
    • Organizer
      日本生物物理学会年会
    • Place of Presentation
      東北大学
    • Year and Date
      2010-09-20
    • Related Report
      2010 Annual Research Report
  • [Presentation] Principal component analysis of proteins in dihedral angle space2009

    • Author(s)
      大森聡, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      第47回日本生物物理学会年会
    • Place of Presentation
      徳島
    • Year and Date
      2009-10-30
    • Related Report
      2010 Final Research Report
  • [Presentation] 低分子リガンド相互作用に関わるタンパク質立体構造変化のデータベース解析2009

    • Author(s)
      雨宮崇之、小池亮太郎、渕上壮太郎、池口満徳、木寺詔紀
    • Organizer
      第9回日本蛋白質科学会年会
    • Place of Presentation
      熊本
    • Year and Date
      2009-05-22
    • Related Report
      2010 Final Research Report
  • [Presentation] 低分子リガンド相互作用に関わるタンパク質立体構造変化のデータベース解析2009

    • Author(s)
      雨宮崇之, 小池亮太郎, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      第9回日本蛋白質科学会年会
    • Place of Presentation
      熊本全日空ホテルニュースカイ
    • Year and Date
      2009-05-22
    • Related Report
      2009 Annual Research Report
  • [Presentation] 球状蛋白質構造ゆらぎの2面角系主成分分析2009

    • Author(s)
      大森聡、渕上壮太郎、池口満徳、木寺詔紀
    • Organizer
      第9回日本蛋白質科学会年会
    • Place of Presentation
      熊本
    • Year and Date
      2009-05-20
    • Related Report
      2010 Final Research Report
  • [Presentation] 球状蛋白質構造ゆらぎの2面角系主成分分析2009

    • Author(s)
      大森聡, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      第9回日本蛋白質科学会年会
    • Place of Presentation
      熊本全日空ホテルニュースカイ
    • Year and Date
      2009-05-20
    • Related Report
      2009 Annual Research Report
  • [Presentation] タンパク質の多量体形成で観察される構造変化2008

    • Author(s)
      平山裕之、雨宮崇之、小池亮太郎、渕上壮太郎、池口満徳、木寺詔紀
    • Organizer
      第46回日本生物物理学会年会
    • Place of Presentation
      福岡
    • Year and Date
      2008-12-05
    • Related Report
      2010 Final Research Report
  • [Presentation] Motion Tree法による蛋白質構造変化の階層的記述2008

    • Author(s)
      小池亮太郎, 太田元規, 木寺詔紀
    • Organizer
      第46回日本生物物理学会年会
    • Place of Presentation
      福岡国際会議場、福岡
    • Year and Date
      2008-12-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] 低分子リガンド結合に関わるタンパク質構造変化のデータベース解析:結晶場の影響2008

    • Author(s)
      雨宮崇之、小池亮太郎、渕上壮太郎、池口満徳、木寺詔紀
    • Organizer
      第8回日本蛋白質科学会年会
    • Place of Presentation
      東京
    • Year and Date
      2008-06-10
    • Related Report
      2010 Final Research Report
  • [Presentation] 蛋白質構造ゆらぎの2面角系主成分分析2008

    • Author(s)
      大森聡、渕上壮太郎、池口満徳、木寺詔紀
    • Organizer
      第8回日本蛋白質科学会年会
    • Place of Presentation
      東京
    • Year and Date
      2008-06-10
    • Related Report
      2010 Final Research Report
  • [Presentation] 低分子リガンド結合に関わるタンパク質構造変化のデータペース解析 : 結晶場の影響2008

    • Author(s)
      雨宮崇之, 小池亮太郎, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      第8回日本蛋白質科学会年会
    • Place of Presentation
      タワーホール船堀、東京
    • Year and Date
      2008-06-10
    • Related Report
      2008 Annual Research Report
  • [Book] 超多自由度系の新しい科学 3.1章 生体分子の計算機シミュレーション2010

    • Author(s)
      木寺詔紀(分担)
    • Total Pages
      40
    • Publisher
      共立出版
    • Related Report
      2010 Annual Research Report
  • [Book] Proteins : Energy Heat and Signal Flow2009

    • Author(s)
      木寺詔紀, 森次圭, 松永泰佑, 藤崎弘士
    • Total Pages
      20
    • Publisher
      Taylor and Francis/CRC Press
    • Related Report
      2008 Annual Research Report

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Published: 2008-04-01   Modified: 2016-04-21  

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