Applied Magnetic Resonance

, 31:167

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

  • P. Gajula
  • I. V. Borovykh
  • C. Beier
  • T. Shkuropatova
  • P. Gast
  • H. -J. Steinhoff
Article

DOI: 10.1007/BF03166254

Cite this article as:
Gajula, P., Borovykh, I.V., Beier, C. et al. Appl. Magn. Reson. (2007) 31: 167. doi:10.1007/BF03166254

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.

Copyright information

© Springer 2007

Authors and Affiliations

  • P. Gajula
    • 1
  • I. V. Borovykh
    • 1
  • C. Beier
    • 1
  • T. Shkuropatova
    • 2
  • P. Gast
    • 2
  • H. -J. Steinhoff
    • 1
  1. 1.Department of PhysicsUniversity of OsnabrückOsnabrückGermany
  2. 2.Department of Biophysics, Huygens LaboratoryLeiden UniversityLeidenThe Netherlands
  3. 3.Laboratory of BiophysicsWageningen UniversityWageningenThe Netherlands