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5nbe
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 5nbe is ON HOLD Authors: McQuaid, K.T., Hall, J.P., Cardin, C.J. Description: [Ru(TAP)2(dppz-11-CN)]2+ bound to d(TCGGCGCCGA)2 [[Category: Unreleas...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==[Ru(TAP)2(dppz-11-CN)]2+ bound to d(TCGGCGCCGA)2== | |
| + | <StructureSection load='5nbe' size='340' side='right'caption='[[5nbe]], [[Resolution|resolution]] 1.51Å' 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]] 1.51Å</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®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 5nbe" style="background-color:#fffaf0;"></div> |
| - | [[Category: Cardin | + | == References == |
| - | [[Category: | + | <references/> |
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Synthetic construct]] | ||
| + | [[Category: Cardin CJ]] | ||
| + | [[Category: Hall JP]] | ||
| + | [[Category: McQuaid KT]] | ||
Current revision
[Ru(TAP)2(dppz-11-CN)]2+ bound to d(TCGGCGCCGA)2
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