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Establishment of Determining Method of Electron Transfer Pathway in Pnoteins and Production of Pathway Map

Research Project

Project/Area Number 10480179
Research Category

Grant-in-Aid for Scientific Research (B).

Allocation TypeSingle-year Grants
Section一般
Research Field Biophysics
Research InstitutionNagoya University

Principal Investigator

KAKITANI Toshiaki  Nagoya University, Department of Physics, Professor, 大学院・理学研究科, 教授 (90027350)

Co-Investigator(Kenkyū-buntansha) YAMATO Takahisa  Nagoya University, Department of Physics, Associate Professor, 大学院・理学研究科, 助教授 (90251587)
Project Period (FY) 1998 – 2000
Project Status Completed (Fiscal Year 2000)
Budget Amount *help
¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 2000: ¥1,100,000 (Direct Cost: ¥1,100,000)
Fiscal Year 1999: ¥1,000,000 (Direct Cost: ¥1,000,000)
Keywordselectron transfer pathway / electron transfer in proteins / worm model / donor / acceptor / regulation of electron transfer rate / electron tunneling current / tunneling pathway map / 電子移動連度制御 / トンネル経路 / 蛋白質 / 電子移動 / 水素結合 / スルーボンド / スルーペース / トンネル電流 / 和則 / タンパク質中電子移動 / 化学結合経由 / トンネル経路3次元マップ / トンネル確率指標 / ドナーサイト / アクセプターサイト
Research Abstract

Electron transfer in proteins is a very important reaction in energy transduction of photosynthesis and respiration in mitochondria. This electron transfer takes place by the tunneling effect. It is an important problem which part of the protein is used in the tunneling pathway and how the regulation of electron transfer rate is made through the pathway regulation.
The theoretical study for determining the electron transfer pathway in proteins has been the main thema in our lab. since 1998. As a plinciple of the study, we aimed to do theoretical calculations reflecting the real structure of proteins without treating them phenomenologically. For this purpose, we obtained the electronic state of the whole protein by the quantum chemical calculations and tried to determine simple electron transfer pathway by an deeply considered theoretical manipulation. We bought a high speed workstation for these calculations. As a typical proteins, we treated azurins modified by the Ru complex at the hystidine residue which was arbitraily introduced by the site-directed mutagenesis. We calculated all the inter atom-atom turnneling currents passing from donor to acceptor. We drew them in the picture of protein by arrows. Furthermore, averaging the currents by the newly developed statistical method, we obtained a picure of averaged tunneling rgion in proteins. Since it looked like winding worm, we called this analysis worm model. The starting point of this model is quite similar to the pathway model previously proposed by Beratan and Onuchic. But its final form is rather similar to the straight one as assumed by Dutton. Namely, the worm model consolidates the two models which were so far considered as quite different models.
As a next step, we apply the worm model for the analysis of the electron tunneling pathway of cytochrome c oxidase. Its study is on the way.

Report

(4 results)
  • 2000 Annual Research Report   Final Research Report Summary
  • 1999 Annual Research Report
  • 1998 Annual Research Report
  • Research Products

    (31 results)

All Other

All Publications (31 results)

  • [Publications] A.Kimura,T.Kakitani and T.Yamato.: "Theory of excitation transfer in the intermediate coupling case"J.Luminescence. 87-89. 815-817 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Kawatsu,T.Kakitani and T.Yamato.: "A novel method for determining electron tunneling pathway in proteins"Inorg.Chim.Acta. 300-302. 862-868 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] A.Kimura,T.Kakitani and T.Yamato.: "Theory of excitation energy transfer in the intermediate coupling case. II. Criterion for intermediate coupling excitation energy transfer mechanism and application to the photosynthetic antenna system"J.Phys.Chem.B. 104,. 9276-9287 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] A.Yamada,S.Yamamoto,T.Yamato and T.Kakitani.: "Ab initio MO study on potential energy surfaces for twisting around C7=C8 and C4-C7 bonds of coumaric acid"J.Mol.Strut.(THEOCHEM). 536. 195-201 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Kawatsu,T.Kakitani and T.Yamato.: "Worm model for the electron tunneling in protein : Consolidation of the pathway model and the Dutton plot"J.Phys.Chem.. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] 垣谷俊昭: "電子と生命-新しいバイオエナジェティックスの展開「電子と生命」シリーズ・ニューバイオフィジクッスI"共立出版. 16 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] 垣谷俊昭: "生体エネルギー変換の戦略生体とエネルギー物理-生命力のみなもと"裳華房. 24 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] A.Kimura, T.Kakitani and T.Yamato: "Theory of excitation transfer in the intermediate coupling case."J.Luminescence. Vol.87-89. 815-817 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Kawatsu, T.Kakitani and T.Yamato: "A novel method for determining electron tunneling pathway in proteins."Inorg.Chim.Acta.. Vol.300-302. 862-868 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] A.Kimura, T.Kakitani and T.Yamato: "Theory of excitation energy transfer in the intermediate coupling case, II.Criterion for intermediate coupling excitation energy transfer mechanism and application to the photosynthetic antenna System."J.Phys.Chem.B.. Vol.104. 9276-9287 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] A.Yamada, S.Yamamoto, T.Yamato and T.Kakitani.: "Ab initio MO Study on potential energy surfaces for twisting around C7=C8 and C4-C4 bonds of Coumaric acid."J.Mol.Struct. (THEOCHEM). Vol.536. 195-201 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Kawatsu, T.Kakitani and T.Yamato: "Worm model for the electron tunneling in protein : Consolidation of the pathway model and the Dutton plot."J.Phys.Chem.. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] A.Kimura,T.Kakitani and T.Yamato.: "Theory of excitation transfer in the intermediate coupling case"J.Luminescence. 87-89. 815-817 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] T.Kawatsu,T.Kakitani and T.Yamato.: "A novel method for determining electron tunneling pathway in proteins"Inorg.Chim.Acta. 300-302. 862-868 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] A.Kimura,T.Kakitani and T.Yamato.: "Theory of excitation energy transfer in the intermediate coupling case.II.Criterion for intermediate coupling excitation energy transfer mechanism and application to the photosynthetic antenna system"J.Phys.Chem.B. 104,. 9276-9287 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] A.Yamada,S.Yamamoto,T.Yamato and T. Kakitani.: "Ab initio MO study on potential energy surfaces for twisting around C7=C8 and C4-C7 bonds of coumaric acid"J.Mol.Struct.(THEOCHEM). 536. 195-201 (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] T.Kawatsu,T.Kakitani and T.Yamato.: "Worm model for the electron tunneling in protein : Consolidation of the pathway model and the Dutton plot"J.Phys.Chem.. (in press).

    • Related Report
      2000 Annual Research Report
  • [Publications] 垣谷俊昭: "電子と生命-新しいバイオエナジェティックスの展開「電子と生命」シリーズ・ニューバイオフィジクッスI"共立出版. 16 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] 垣谷俊昭: "生体エネルギー変換の戦略 生体とエネルギー物理-生命力のみなもと"裳華房. 24 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] Goto,N. et al.: "Monte Carlo simulation study on the structure and reactions at meta-electlyte interface. II. Mechanism of nonlinear electrode reaction."J. Phys. Soc. Japan.. 68. 3729-3737 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Yamamoto, S. et al.: "Ab initio MO study on the Potential energy surfaces for twisting around the C11=C12 bond of the ptotonated Schiff base of retinal."THEOCHEM. 461-462. 463-471 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Kakitani, T. et al.: "Color tuning mechanism of human red and green visual pigments."Photochem. Photobiol.. 70. 686-693 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Kakitani, T. et al.: "Theory of excitation transfer in the intermadiate coupling case."J. Phys. Chem.. B103. 3720-3726 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Kimura, A.: "Theory of excitation transfer in the intermediate coupling case."J. Luminescence. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] Kawatsu, T. et al.: "A novel method for determining electron tunneling pathway in proteins."Inorg. Chim. Acta.. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Kakitani: "Deuterium Substtitution Effect on the Excited-State Dynamics of Rhodopsin." J.Phys.Chem.B. 102,7. 1334-1339 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] A.Kimura: "Nonperturbative Method of Electron Transfer via a Midway Molecule." Chem.Phys.Letters. 298. 241-249 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] S.Yamamoto: "Ab initio MO Study on the Potential energy Surfaces of Low-lying Excited States Protonated Schiff Base Retinal." THEOCHEM. 451. 151-162 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] T.Kakitani: "Theory of Excitation Transfer in the Intermediate Coupling Case" J.Phys.Chem.B. (in press). (1999)

    • Related Report
      1998 Annual Research Report
  • [Publications] 垣谷 俊昭: "光・物質・生命と反応 上" 丸善株式会社, 206 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 垣谷 俊昭: "光・物質・生命と反応 下" 丸善株式会社, 250 (1998)

    • Related Report
      1998 Annual Research Report

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Published: 1999-04-01   Modified: 2016-04-21  

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