Structure of RecX protein complex with the presynaptic RecA filament: Molecular dynamics simulations and small angle neutron scattering. Shvetsov, A., Lebedev, D., Chervyakova, D., Bakhlanova, I., Yung, I., Radulescu, A., Kuklin, A., Baitin, D., & Isaev-Ivanov, V. FEBS Letters, 588(6):948-955, 2014. cited By 9
Structure of RecX protein complex with the presynaptic RecA filament: Molecular dynamics simulations and small angle neutron scattering [link]Paper  doi  abstract   bibtex   
Using molecular modeling techniques we have built the full atomic structure and performed molecular dynamics simulations for the complexes formed by Escherichia coli RecX protein with a single-stranded oligonucleotide and with RecA presynaptic filament. Based on the modeling and SANS experimental data a sandwich-like filament structure formed two chains of RecX monomers bound to the opposite sides of the single stranded DNA is proposed for RecX::ssDNA complex. The model for RecX::RecA::ssDNA include RecX binding into the grove of RecA::ssDNA filament that occurs mainly via Coulomb interactions between RecX and ssDNA. Formation of RecX::RecA::ssDNA filaments in solution was confirmed by SANS measurements which were in agreement with the spectra computed from the molecular dynamics simulations. © 2014 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.
@ARTICLE{Shvetsov2014948,
author={Shvetsov, A.V. and Lebedev, D.V. and Chervyakova, D.B. and Bakhlanova, I.V. and Yung, I.A. and Radulescu, A. and Kuklin, A.I. and Baitin, D.M. and Isaev-Ivanov, V.V.},
title={Structure of RecX protein complex with the presynaptic RecA filament: Molecular dynamics simulations and small angle neutron scattering},
journal={FEBS Letters},
year={2014},
volume={588},
number={6},
pages={948-955},
doi={10.1016/j.febslet.2014.01.053},
note={cited By 9},
url={https://www.scopus.com/inward/record.uri?eid=2-s2.0-84896097512&doi=10.1016%2fj.febslet.2014.01.053&partnerID=40&md5=487e046cfe30940a5f92c492c0bbc21f},
affiliation={Petersburg Nuclear Physics Institute, NRC Kurchatov Institute, Gatchina, Russian Federation; Saint-Petersburg State University, Saint-Petersburg, Russian Federation; St. Petersburg State Polytechnical University, St. Petersburg, Russian Federation; Joint Centre for Nuclear Research, Dubna, Russian Federation; Jülich Centre for Neutron Science Outstation at FRM II, Garching, Germany},
abstract={Using molecular modeling techniques we have built the full atomic structure and performed molecular dynamics simulations for the complexes formed by Escherichia coli RecX protein with a single-stranded oligonucleotide and with RecA presynaptic filament. Based on the modeling and SANS experimental data a sandwich-like filament structure formed two chains of RecX monomers bound to the opposite sides of the single stranded DNA is proposed for RecX::ssDNA complex. The model for RecX::RecA::ssDNA include RecX binding into the grove of RecA::ssDNA filament that occurs mainly via Coulomb interactions between RecX and ssDNA. Formation of RecX::RecA::ssDNA filaments in solution was confirmed by SANS measurements which were in agreement with the spectra computed from the molecular dynamics simulations. © 2014 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.},
author_keywords={GROMACS;  Molecular dynamics;  RecA;  RecX;  Small angle neutron scattering},
funding_details={Российский Фонд Фундаментальных Исследований (РФФИ)12-02-12053-ofi-m, 11-04-01229-a, 14-04-00817a},
}

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