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Spin-labeled photosynthetic reaction centers fromRhodobacter sphaeroides studied by electron paramagnetic resonance spectroscopy and molecular dynamics simulations

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Abstract

A new strategy has been applied that combines molecular dynamics (MD) simulations and electron paramagnetic resonance (EPR) spectroscopy to study the structure and conformational dynamics of the spin-labeled photosynthetic reaction center (RC) ofRhodobacter sphaeroides. This protein serves here as a model system to demonstrate the applicability of this new methodology. The RC contains five native cysteines and EPR experiments show that only one cysteine, located on the H subunit, is accessible for spin labeling. The EPR spectra calculated from MD simulation trajectories of spin labels bound to the native cysteines C156 and C234 in subunit H reveal that only the spin label side chain at position 156 provides a spectrum which agrees with the experimental EPR spectrum.

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Author notes

  1. I. V. Borovykh

    Present address: Laboratory of Biophysics, Wageningen University, Wageningen, The Netherlands

Authors and Affiliations

  1. Department of Physics, University of Osnabrück, Barbarastrasse 7, 49076, Osnabrück, Germany

    P. Gajula, I. V. Borovykh, C. Beier & H. -J. Steinhoff

  2. Department of Biophysics, Huygens Laboratory, Leiden University, Leiden, The Netherlands

    T. Shkuropatova & P. Gast

Authors
  1. P. Gajula
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  2. I. V. Borovykh
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  3. C. Beier
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  4. T. Shkuropatova
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  5. P. Gast
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  6. H. -J. Steinhoff
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Gajula, P., Borovykh, I.V., Beier, C. et al. Spin-labeled photosynthetic reaction centers fromRhodobacter sphaeroides studied by electron paramagnetic resonance spectroscopy and molecular dynamics simulations. Appl. Magn. Reson. 31, 167–178 (2007). https://doi.org/10.1007/BF03166254

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  • DOI: https://doi.org/10.1007/BF03166254

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