6rnl: Difference between revisions

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'''Unreleased structure'''


The entry 6rnl is ON HOLD
==L-[Ru(TAP)2(dppz)]2+ bound to the G-quadruplex forming sequence d(TAGGGTT)==
<StructureSection load='6rnl' size='340' side='right'caption='[[6rnl]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6rnl]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RNL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6RNL FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=RKL:RU(TAP)2(DPPZ)+COMPLEX'>RKL</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6rnl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rnl OCA], [http://pdbe.org/6rnl PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6rnl RCSB], [http://www.ebi.ac.uk/pdbsum/6rnl PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6rnl ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The new complexes [Ru(TAP)2 (11-CN-dppz)](2+) , [Ru(TAP)2 (11-Br-dppz)](2+) and [Ru(TAP)2 (11,12-diCN-dppz)](2+) are reported. The addition of nitrile substituents to the dppz ligand of the DNA photo-oxidising complex [Ru(TAP)2 (dppz)](2+) promote pi-stacking interactions and ordered binding to DNA, as shown by X-ray crystallography. The structure of Lambda-[Ru(TAP)2 (11-CN-dppz)](2+) with the DNA duplex d(TCGGCGCCGA)2 shows, for the first time with this class of complex, a closed intercalation cavity with an AT base pair at the terminus. The structure obtained is compared to that formed with the 11-Br and 11,12-dinitrile derivatives, highlighting the stabilization of syn guanine by this enantiomer when the terminal base pair is GC. In contrast the AT base pair has the normal Watson-Crick orientation, highlighting the difference in charge distribution between the two purine bases and the complementarity of the dppz-purine interaction. The asymmetry of the cavity highlights the importance of the purine-dppz-purine stacking interaction.


Authors: McQuaid, K.T., Hall, J.P., Cardin, C.J.
X-ray Crystal Structures Show DNA Stacking Advantage of Terminal Nitrile Substitution in Ru-dppz Complexes.,McQuaid K, Hall JP, Brazier JA, Cardin DJ, Cardin CJ Chemistry. 2018 Oct 22;24(59):15859-15867. doi: 10.1002/chem.201803021. Epub 2018, Oct 1. PMID:30063271<ref>PMID:30063271</ref>


Description: L-[Ru(TAP)2(dppz)]2+ bound to the G-quadruplex forming sequence d(TAGGGTT)
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Hall, J.P]]
<div class="pdbe-citations 6rnl" style="background-color:#fffaf0;"></div>
[[Category: Cardin, C.J]]
== References ==
[[Category: Mcquaid, K.T]]
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Cardin, C J]]
[[Category: Hall, J P]]
[[Category: McQuaid, K T]]
[[Category: Asymmetric]]
[[Category: Dna]]
[[Category: Intercalation]]
[[Category: Ruthenium]]
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