This title appears in the Scientific Report : 2014 

Structure of RecX protein complex with the presynaptic RecA filament: Molecular dynamics simulations and small angle neutron scattering
Shvetsov, Alexey V. (Corresponding author)
Lebedev, Dmitry V. / Chervyakova, Daria B. / Bakhlanova, Irina V. / Yung, Igor A. / Radulescu, Aurel / Kuklin, Aleksandr I. / Baitin, Dmitry M. / Isaev-Ivanov, Vladimir V.
Neutronenstreuung ; Neutronenstreuung; JCNS-1
Neutronenstreuung ; ICS-1
JCNS-FRM-II; JCNS-FRM-II
FEBS letters, 588 (2014) 6, S. 948–955
Amsterdam [u.a.] Elsevier 2014
10.1016/j.febslet.2014.01.053
Journal Article
JCNS
Soft Matter Composites
Please use the identifier: http://dx.doi.org/10.1016/j.febslet.2014.01.053 in citations.
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.