1dk6

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[[Image:1dk6.png|left|200px]]
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==NMR structure analysis of the DNA nine base pair duplex D(CATGAGTAC) D(GTAC(NP3)CATG)==
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<StructureSection load='1dk6' size='340' side='right' caption='[[1dk6]], [[NMR_Ensembles_of_Models | 1 NMR models]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1dk6]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1DK6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1DK6 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=NP3:1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITRO-PYRROL]-5-PHOSPHATE'>NP3</scene></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1dk6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1dk6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1dk6 RCSB], [http://www.ebi.ac.uk/pdbsum/1dk6 PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The three-dimensional structures of two DNA duplexes d(CATGAGTAC). d(GTACXCATG) (1) and d(CATGAGTAC).d(GTACTCATG) (2), where X represents 1-(2'-deoxy-beta-D-ribofuranosyl)-3-nitropyrrole, were solved using high resolution nuclear magnetic resonance spectroscopy and restrained molecular dynamics. Good convergence was observed between final structures derived from A- and B-form starting geometries for both 1 and 2. Structures of 1 and 2 are right-handed duplexes within the B-form conformational regime. Furthermore, the structures of 1 and 2 are highly similar, with differences in the structures localized to the vicinity of residue 14 (X versus T). The pyrrole group of 1 is in the syn conformation and it is displaced towards the major groove. Furthermore, unlike T14 in 2, the base of X14 has reduced pi-pi stacking interactions with C13 and C15 and the nitro group of X14 is pointing out of the major groove. The structures presented here establish the basis of the thermal data of DNA duplexes containing X and should be informative during the design of improved wild card nucleobase analogs.
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{{STRUCTURE_1dk6| PDB=1dk6 | SCENE= }}
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NMR structure of a DNA duplex containing nucleoside analog 1-(2'-deoxy-beta-D-ribofuranosyl)-3-nitropyrrole and the structure of the unmodified control.,Klewer DA, Hoskins A, Zhang P, Davisson VJ, Bergstrom DE, LiWang AC Nucleic Acids Res. 2000 Nov 15;28(22):4514-22. PMID:11071940<ref>PMID:11071940</ref>
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===NMR structure analysis of the DNA nine base pair duplex D(CATGAGTAC) D(GTAC(NP3)CATG)===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_11071940}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[1dk6]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1DK6 OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:011071940</ref><references group="xtra"/>
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[[Category: Bergstrom, D E.]]
[[Category: Bergstrom, D E.]]
[[Category: Davisson, V J.]]
[[Category: Davisson, V J.]]

Revision as of 05:28, 8 June 2014

NMR structure analysis of the DNA nine base pair duplex D(CATGAGTAC) D(GTAC(NP3)CATG)

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