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Perspectives in Photosynthesis pp 389–412Cite as

Protein dynamics in the photosynthetic reaction center: the electron transfer from cytochrome c to the special pair.

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Part of the book series: The Jerusalem Symposia on Quantum Chemistry and Biochemistry ((JSQC,volume 22))

Abstract

A protein dynamics simulation of the photosynthetic reaction center of Rps. viridis is performed by using the CHARMM program. The relevant part of the protein contains the special pair and the proximate cytochrome c. In the center is a tyrosine residue (L162) which is believed to support the electron transfer from the cytochrome c to the special pair by mixing the initial and final state wave functions. Preliminary calculations have shown that the 31 water molecules which are in the relevant part of the x-ray structure are much to mobile. Hence 8 extra water molecules have been added to improve the set-up for the dynamics simulation. The dynamics of the water molecules play an important role for the electron transfer due to their large mobility and the formation of hydrogen bridges with the OH-group of the tyrosine residue L162. The anisotropy, asymmetry and anharmonicity of the potential envelope governing the motion of a water molecule can be analysed by evaluating the second order moments 〈(XK−〈XK〉)*(XI − 〈XI〉)〉 of the cartesian components xk, k, 1=1, 2, 3 of the oxygen atom trajectory from the water molecule. The fluctuations of the nonbonded interactions of the tyrosine residue with its protein environment are as large as 4 kcal/mol, a value which is of the same order of magnitude as the difference of initial and final state energies of an electron transfer system. The statistical properties of these energy fluctuations must enter a model description of the electron transfer process.

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Abbreviations

ET:

electron transfer

RC:

reaction center

Rps.:

Rhodopseudomonas

SP:

special pair

BC:

bacterochlorophyll b

HE3:

proximate cytochrome c

MAS:

Mössbauer absoption spectroscopy

rms:

root mean square displacement

NS:

neutron scattering

RP:

redox potential

CYT (h), CYT(l):

high and low potential cytochrome

Ch:

Chromatium

estat.:

electrostatic

VdW:

Van der Waals

TYR:

tyrosine residue

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Author information

Authors and Affiliations

  1. Physik Department, Technische Universität München, D-8046, Garching, Germany

    E. W. Knapp

  2. Department of Medical Biophysics, Karolinska Institutet, S-10401, Stockholm, Sweden

    L. Nilsson

Authors
  1. E. W. Knapp
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  2. L. Nilsson
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Editor information

Editors and Affiliations

  1. Department of Chemistry, University of Tel-Aviv, Israel

    J. Jortner

  2. Institut de Biologie Physico-Chimique (Fondation Edmond de Rothschild), Paris, France

    B. Pullman

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© 1990 Kluwer Academic Publishers

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Knapp, E.W., Nilsson, L. (1990). Protein dynamics in the photosynthetic reaction center: the electron transfer from cytochrome c to the special pair.. In: Jortner, J., Pullman, B. (eds) Perspectives in Photosynthesis. The Jerusalem Symposia on Quantum Chemistry and Biochemistry, vol 22. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-0489-7_30

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  • DOI: https://doi.org/10.1007/978-94-009-0489-7_30

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-6706-5

  • Online ISBN: 978-94-009-0489-7

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