Complex between Human RNase HI and the phosphonate-DNA/RNA duplex: Molecular dynamics study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F13%3A10190058" target="_blank" >RIV/00216208:11320/13:10190058 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.jmgm.2013.05.004" target="_blank" >http://dx.doi.org/10.1016/j.jmgm.2013.05.004</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jmgm.2013.05.004" target="_blank" >10.1016/j.jmgm.2013.05.004</a>

Result language
angličtina
Original language name
Complex between Human RNase HI and the phosphonate-DNA/RNA duplex: Molecular dynamics study
Original language description
Our 200 ns MD simulations show that even fully modified oligonucleotides bearing the 3'-O-P-CH2-O-5' (but not 3'-O-CH2-P-O-5') phosphonate linkages can be successfully attached to the surface of Human RNase H. It enables to explain that oligonucleotidesconsisting of the alternating 3'-O-P-CH2-O-5' phosphonate and phosphodiester linkages are capable to elicit the RNase H activity (while the 3'-O-CH2-P-O-5' phosphonates are completely inactive). Stability of the binuclear active site of Human RNase H wasachieved using the one-atom model for Mg2+ in conjunction with a polarized phosphate group of the scissile bond, which is wedged between both magnesium ions. The reference MD simulation (lasting for 1000 ns), which was produced using a well-establishedseven-point (with dummy atoms) model for Mg2+ led to essentially the same results. The MD run (lasting for 500 ns) produced for the Therms thermophilus Argonaute enzyme shows the transferability of our approach for the stabilization of a
Czech name
—
Czech description
—

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BO - Biophysics
OECD FORD branch
—

Project
<a href="/en/project/GA202%2F09%2F0193" target="_blank" >GA202/09/0193: Formation and dynamics of nucleic acid motifs involved in regulation of gene expression</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)