View source for 2mh6


==Solution structure of DNA duplex containing N3T-ethylene-N1I interstrand cross-link==
<StructureSection load='2mh6' size='340' side='right'caption='[[2mh6]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2mh6]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MH6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2MH6 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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDI:2-DEOXY-1-(2-IODOETHYL)INOSINE'>EDI</scene></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=2mh6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2mh6 OCA], [https://pdbe.org/2mh6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2mh6 RCSB], [https://www.ebi.ac.uk/pdbsum/2mh6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2mh6 ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The bisalkylating agent 1,3-bis(2-chloroethyl)-1-nitrosourea (BCNU), used in cancer chemotherapy to hinder cellular proliferation, forms lethal interstrand cross-links (ICLs) in DNA. BCNU generates an ethylene linkage connecting the two DNA strands at the N1 atom of 2'-deoxyguanosine and N3 atom of 2'-deoxycytidine, which is a synthetically challenging probe to prepare. To this end, an ICL duplex linking the N1 atom of 2'-deoxyinosine to the N3 atom of thymidine via an ethylene linker was devised as a mimic. We have solved the structure of this ICL duplex by a combination of molecular dynamics and high-field NMR experiments. The ethylene linker is well-accommodated in the duplex with minimal global and local perturbations relative to the unmodified duplex. These results may account for the substantial stabilization of the ICL duplex observed by UV thermal denaturation experiments and provides structural insights of a probe that may be useful for DNA repair studies.

NMR Structure of an Ethylene Interstrand Cross-Linked DNA which Mimics the Lesion Formed by 1,3-Bis(2-chloroethyl)-1-nitrosourea.,O'Flaherty DK, Denisov AY, Noronha AM, Wilds CJ ChemMedChem. 2014 Jun 16. doi: 10.1002/cmdc.201402121. PMID:24931822<ref>PMID:24931822</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2mh6" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Denisov AY]]
[[Category: Noronha AM]]
[[Category: O'Flaherty DK]]
[[Category: Wilds CJ]]