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]](https://bibbase.org/img/filetypes/link.svg "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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