%0 Journal Article
%A Shvetsov, Alexey V.
%A Lebedev, Dmitry V.
%A Chervyakova, Daria B.
%A Bakhlanova, Irina V.
%A Yung, Igor A.
%A Radulescu, Aurel
%A Kuklin, Aleksandr I.
%A Baitin, Dmitry M.
%A Isaev-Ivanov, Vladimir V.
%T Structure of RecX protein complex with the presynaptic RecA filament: Molecular dynamics simulations and small angle neutron scattering
%J FEBS letters
%V 588
%N 6
%@ 0014-5793
%C Amsterdam [u.a.]
%I Elsevier
%M FZJ-2014-01659
%P 948–955
%D 2014
%X 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000333088800016
%R 10.1016/j.febslet.2014.01.053
%U https://juser.fz-juelich.de/record/151777