View source for 5nbe


==[Ru(TAP)2(dppz-11-CN)]2+ bound to d(TCGGCGCCGA)2==
<StructureSection load='5nbe' size='340' side='right'caption='[[5nbe]], [[Resolution|resolution]] 1.51&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5nbe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NBE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5NBE FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.51&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BA:BARIUM+ION'>BA</scene>, <scene name='pdbligand=QHL:delta-[Ru(tap2-dppz-CN]2+'>QHL</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=5nbe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nbe OCA], [https://pdbe.org/5nbe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5nbe RCSB], [https://www.ebi.ac.uk/pdbsum/5nbe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5nbe 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.

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>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5nbe" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Synthetic construct]]
[[Category: Cardin CJ]]
[[Category: Hall JP]]
[[Category: McQuaid KT]]