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New page: left|200px<br /><applet load="1kb1" size="450" color="white" frame="true" align="right" spinBox="true" caption="1kb1" /> '''SOLUTION STRUCTURE OF AN 11-MER DNA DUPLEX C...
 
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[[Image:1kb1.gif|left|200px]]<br /><applet load="1kb1" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1kb1" />
'''SOLUTION STRUCTURE OF AN 11-MER DNA DUPLEX CONTAINING 6-THIOGUANINE OPPOSITE CYTOSINE'''<br />


==Overview==
==SOLUTION STRUCTURE OF AN 11-MER DNA DUPLEX CONTAINING 6-THIOGUANINE OPPOSITE CYTOSINE==
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.
<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>
<div style="background-color:#fffaf0;">
== 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.


==About this Structure==
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>
1KB1 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1KB1 OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12582253 12582253]
</div>
[[Category: Protein complex]]
<div class="pdbe-citations 1kb1" style="background-color:#fffaf0;"></div>
[[Category: Bohon, J.]]
== References ==
[[Category: Santos, C.R.De.Los.]]
<references/>
[[Category: 6-thioguanine]]
__TOC__
[[Category: 6tg]]
</StructureSection>
[[Category: b-form dna]]
[[Category: Large Structures]]
[[Category: double helix]]
[[Category: Bohon J]]
[[Category: s6g]]
[[Category: De Los Santos CR]]
[[Category: tg]]
[[Category: thioguanine]]
[[Category: thiopurine]]
 
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