View source for 1kb1


==SOLUTION STRUCTURE OF AN 11-MER DNA DUPLEX CONTAINING 6-THIOGUANINE OPPOSITE CYTOSINE==
<StructureSection load='1kb1' size='340' side='right'caption='[[1kb1]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1kb1]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KB1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1KB1 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=S6G:6-THIO-2-DEOXYGUANOSINE-5-MONOPHOSPHATE'>S6G</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=1kb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kb1 OCA], [https://pdbe.org/1kb1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1kb1 RCSB], [https://www.ebi.ac.uk/pdbsum/1kb1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1kb1 ProSAT]</span></td></tr>
</table>
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== Publication Abstract from PubMed ==
The incorporation of 6-thioguanine (S6G) into DNA is an essential step in the cytotoxic activity of thiopurines. However, the structural effects of this substitution on duplex DNA have not been fully characterized. Here, we present the solution structures of DNA duplexes containing S6G opposite thymine (S6G.T) and opposite cytosine (S6G.C), solved by high-resolution NMR spectroscopy and restrained molecular dynamics. The data indicate that both duplexes adopt right-handed helical conformations with all Watson-Crick hydrogen bonding in place. The S6G.T structures exhibit a wobble-type base pairing at the lesion site, with thymine shifted toward the major groove and S6G displaced toward the minor groove. Aside from the lesion site, the helices, including the flanking base pairs, are not highly perturbed by the presence of the lesion. Surprisingly, thermal dependence experiments suggest greater stability in the S6G-T mismatch than the S6G-C base pair.

Structural effect of the anticancer agent 6-thioguanine on duplex DNA.,Bohon J, de los Santos CR Nucleic Acids Res. 2003 Feb 15;31(4):1331-8. PMID:12582253<ref>PMID:12582253</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 1kb1" style="background-color:#fffaf0;"></div>
== References ==
<references/>
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</StructureSection>
[[Category: Large Structures]]
[[Category: Bohon J]]
[[Category: De Los Santos CR]]