• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to project page

1995 Fiscal Year Final Research Report Summary

Dynamics of the Electron Transfer Reaction in Cytochrome b_5

Research Project

Project/Area Number 06680650
Research Category

Grant-in-Aid for General Scientific Research (C)

Allocation TypeSingle-year Grants
Research Field Biophysics
Research InstitutionKYOTO UNIVERSITY

Principal Investigator

KITAO Akio  Kyoto University, Graduate School of Science, Asistant, 大学院・理学研究科, 助手 (30252422)

Co-Investigator(Kenkyū-buntansha) GO Nobuhiro  Kyoto University, Graduate School of Science, Professor, 大学院・理学研究科, 教授 (50011549)
Project Period (FY) 1994 – 1995
KeywordsNon-Adiabatic Electron Transfer Reaction / Electronic Coupling Factor / Frank-Condon Factor / Normal Mode / Solvent Effect / Tanford-Kirkwood Model / Cytochrome b5 / Cytocrhome c
Research Abstract

Electron transfer is one of the most fundamental process in chemistry and biology. Theoretical frameworks describing non-adiabatic electron transfer process is well established through classical, semiclassical and quantum models. In all these theories, the basic assumption is that the electron transfer rate constant can be partitioned into two factors-the electronic coupling factor and the Frank-Condon factor.
A new aproach is proposed in order to understand the relation between the protein modes and the electron transfer reaction, especially the Frank-Condon factor. We have presented a reduced spin-boson hamiltonian model where the bosonic bath is represented by the harmonic protein normal modes or the collective modes determined by the principal component analysis. Solvent effect is incorporated by the Tanford-Kirkwood model.
The spin-boson model have been applied to the problem of electron transfer by others in previous studies. However, there are several new aspects that our work brings out. Our starting point is the normal mode analysis in the frequency domain. This allowed us to structurally identify all the bath modes in protein and solvent. This is important if one ones to correlate specific structural fluctuations of the protein to electron transfer coupling. Thus our model has all the advantages of a spin-boson model, with the added advantage that the individual bath modes are no more spatially anonymous. The present analysis is not just restricted to harmonic normal modes, but instead one can use data from a molecular dynamics run and through a principal component analysis.

  • Research Products

    (10 results)

All Other

All Publications (10 results)

  • [Publications] Steven Haywar: "Harmonicity and Anharmonicity in Protein Dynamics: A Normal Mode Analysis and Principal Component Analysis" PROTEINS. 232. 177-186 (1995)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Steven Hayward: "Collective Variable Description of Native Protein Dynamics" Annual Review of Physical Chemistry. 46. 233-251 (1995)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Hiroshi Wako: "FEDER/2: Program for Static and Dynamic Conformational Energy Analysis of Macro-Molecules. in Dihedral Angle Space" Computer Physics Communication. 91. 233-251 (1995)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Shinji Sunada: "Small-Amplitude Protein Cinformational Dynamics: Second-Order Analytic Rclation between Carteisan Coordinates and Dihedral Angles" Journal of Computational Chemistry. 16. 328-336 (1995)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Masaki Tomimoto: "Analitic Theory of Pseudorotation in Five-Membered Rings. Cyclopentane, Terahydrofuran, Ribose and Deoxyribose" Journal of Physical Chemistry. 99. 563-577 (1995)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Steven Hayward: "Harmonicity and Anharmonicity in Protein Dynamics : A Normal Mode Analysis and Principal Component Analysis" PROTEINS. 232. 177-186 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Hiroshi Wako: "FEDER/2 : Program for Static and Dynamic Conformational Energy Analysis of Macro-Molecules in Dihedral Angle Space" Annual Review of Physical Chemistry. 46. 223-250 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Steven Hayward: "Collective Variable Description of Native Protein Dynamics" Computer Physics Communication. 91. 233-251 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Shinji Sunada: "Small-Amplitude Protein Conformational Dynamics : Second-Order Analytic Relation between Carteisan Coordinates and Dihedral Angles" Journal of Computational Chemistry. 16. 328-336 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Masaki Tomimoto: "Analitic Theory of Pseudorotation in Five-Membered Rings. Cyclopentane, Tetrahydrofuran, Ribose and Deoxyribose" Journal of Physical Chemistry. 99. 563-577 (1995)

    • Description
      「研究成果報告書概要(欧文)」より

URL: 

Published: 1997-03-04  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi