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Computer Research and Modeling, 2009, Volume 1, Issue 4, Pages 437–448 (Mi crm659)  

ANALYSIS AND MODELING OF COMPLEX LIVING SYSTEMS

Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria

P. A. Mamonov, P. M. Krasilnikov, P. P. Knox, A. B. Rubin

Biophysics dept., the Faculty of Biology of MSU, Building 12, house 1, Vorobiyovy Gory Str., Moscow, Russia, 119991

Abstract: A possible conformational change, which accompanies electron tranport in Rb. sphaeroides photosynthetic reaction center (RC), was studied using quantum-chemical approach. A kinetic model which takes into account two conformational states of RC is proposed. The model quantitatively describes experimental temperature dependencies of recombination reaction rate $\mathrm{P}^+\mathrm{Q}_A^- \to \mathrm{PQ}_A$. Quantum-chemical modeling of primary quinone ($\mathrm{Q}_A$) binding site permits one to propose a minor shift of $\mathrm{Q}_A$ as a conformational change of interest. The shift is accompanied by break of a hydrogen bond between 4-C=O group of $\mathrm{Q}_A$ and histidine $\mathrm{M}^{219}$, and formation of a new hydrogen bond between $\mathrm{Q}_A$ and hydroxyl group of threonine $\mathrm{M}^{222}$. Characteristics of this conformational change were obtained from quantum-chemical calculations and match parameters of kinetic model in qualitative fashion.

Keywords: Rhodobacter sphaeroides, photosynthetic reaction center, conformational change, reaction of recombination.

DOI: https://doi.org/10.20537/2076-7633-2009-1-4-437-448

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Full text: http://crm.ics.org.ru/.../1604
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Received: 22.04.2009
Revised: 01.07.2009

Citation: P. A. Mamonov, P. M. Krasilnikov, P. P. Knox, A. B. Rubin, “Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria”, Computer Research and Modeling, 1:4 (2009), 437–448

Citation in format AMSBIB
\Bibitem{MamKraKno09}
\by P.~A.~Mamonov, P.~M.~Krasilnikov, P.~P.~Knox, A.~B.~Rubin
\paper Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria
\jour Computer Research and Modeling
\yr 2009
\vol 1
\issue 4
\pages 437--448
\mathnet{http://mi.mathnet.ru/crm659}
\crossref{https://doi.org/10.20537/2076-7633-2009-1-4-437-448}


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