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==Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A2-DNA structure==
<StructureSection load='5uzd' size='340' side='right'caption='[[5uzd]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5uzd]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UZD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5UZD FirstGlance]. <br>
</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5uzd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5uzd OCA], [https://pdbe.org/5uzd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5uzd RCSB], [https://www.ebi.ac.uk/pdbsum/5uzd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5uzd ProSAT]</span></td></tr>
</table>
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== Publication Abstract from PubMed ==
In the canonical DNA double helix, Watson-Crick (WC) base pairs (bps) exist in dynamic equilibrium with sparsely populated ( approximately 0.02-0.4%) and short-lived (lifetimes approximately 0.2-2.5 ms) Hoogsteen (HG) bps. To gain insights into transient HG bps, we used solution-state nuclear magnetic resonance spectroscopy, including measurements of residual dipolar couplings and molecular dynamics simulations, to examine how a single HG bp trapped using the N1-methylated adenine (m1A) lesion affects the structural and dynamic properties of two duplexes. The solution structure and dynamic ensembles of the duplexes reveals that in both cases, m1A forms a m1A*T HG bp, which is accompanied by local and global structural and dynamic perturbations in the double helix. These include a bias toward the BI backbone conformation; sugar repuckering, major-groove directed kinking ( approximately 9 degrees ); and local melting of neighboring WC bps. These results provide atomic insights into WC/HG breathing dynamics in unmodified DNA duplexes as well as identify structural and dynamic signatures that could play roles in m1A recognition and repair.

Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A.,Sathyamoorthy B, Shi H, Zhou H, Xue Y, Rangadurai A, Merriman DK, Al-Hashimi HM Nucleic Acids Res. 2017 Mar 21. doi: 10.1093/nar/gkx186. PMID:28369571<ref>PMID:28369571</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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== References ==
<references/>
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</StructureSection>
[[Category: Large Structures]]
[[Category: Synthetic construct]]
[[Category: Al-Hashimi HM]]
[[Category: Sathyamoorthy B]]
[[Category: Shi H]]
[[Category: Xue Y]]