This title appears in the Scientific Report :
2014
Please use the identifier:
http://dx.doi.org/10.1016/j.febslet.2014.01.053 in citations.
Structure of RecX protein complex with the presynaptic RecA filament: Molecular dynamics simulations and small angle neutron scattering
Structure of RecX protein complex with the presynaptic RecA filament: Molecular dynamics simulations and small angle neutron scattering
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 da...
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Personal Name(s): | Shvetsov, Alexey V. (Corresponding author) |
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Lebedev, Dmitry V. / Chervyakova, Daria B. / Bakhlanova, Irina V. / Yung, Igor A. / Radulescu, Aurel / Kuklin, Aleksandr I. / Baitin, Dmitry M. / Isaev-Ivanov, Vladimir V. | |
Contributing Institute: |
Neutronenstreuung; JCNS-1 Neutronenstreuung; ICS-1 JCNS-FRM-II; JCNS-FRM-II |
Published in: | FEBS letters, 588 (2014) 6, S. 948–955 |
Imprint: |
Amsterdam [u.a.]
Elsevier
2014
|
DOI: |
10.1016/j.febslet.2014.01.053 |
Document Type: |
Journal Article |
Research Program: |
JCNS Soft Matter Composites |
Subject (ZB): | |
Publikationsportal JuSER |
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. |