View source for 2ll9


==Solution structure of a DNA containing a thymime-thymine mismatch==
<StructureSection load='2ll9' size='340' side='right'caption='[[2ll9]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2ll9]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2LL9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2LL9 FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</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=2ll9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ll9 OCA], [https://pdbe.org/2ll9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ll9 RCSB], [https://www.ebi.ac.uk/pdbsum/2ll9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ll9 ProSAT]</span></td></tr>
</table>
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== Publication Abstract from PubMed ==
The macrocyclic bis-naphthalene macrocycle (2,7-BisNP), belonging to the cyclobisintercalator family of DNA ligands, recognizes T-T mismatch sites in duplex DNA with high affinity and selectivity, as evidenced by thermal denaturation experiments and NMR titrations. The binding of this macrocycle to an 11-mer DNA oligonucleotide containing a T-T mismatch was studied using NMR spectroscopy and NMR-restrained molecular modeling. The ligand forms a single type of complex with the DNA, in which one of the naphthalene rings of the ligand occupies the place of one of the mismatched thymines, which is flipped out of the duplex. The second naphthalene unit of the ligand intercalates at the A-T base pair flanking the mismatch site, leading to encapsulation of its thymine residue via double stacking. The polyammonium linking chains of the macrocycle are located in the minor and the major grooves of the oligonucleotide and participate in the stabilization of the complex by formation of hydrogen bonds with the encapsulated thymine base and the mismatched thymine remaining inside the helix. The study highlights the uniqueness of this cyclobisintercalation binding mode and its importance for recognition of DNA lesion sites by small molecules.

Double threading through DNA: NMR structural study of a bis-naphthalene macrocycle bound to a thymine-thymine mismatch.,Jourdan M, Granzhan A, Guillot R, Dumy P, Teulade-Fichou MP Nucleic Acids Res. 2012 Jun;40(11):5115-28. Epub 2012 Feb 22. PMID:22362757<ref>PMID:22362757</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 2ll9" style="background-color:#fffaf0;"></div>
== References ==
<references/>
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</StructureSection>
[[Category: Large Structures]]
[[Category: Dumy P]]
[[Category: Granzhan A]]
[[Category: Guillot R]]
[[Category: Jourdan M]]
[[Category: Teulade-Fichou M]]