3ce5: Difference between revisions
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==A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19== | |||
<StructureSection load='3ce5' size='340' side='right'caption='[[3ce5]], [[Resolution|resolution]] 2.50Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3ce5]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CE5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3CE5 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]] 2.5Å</td></tr> | |||
-- | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BRA:9-[4-(N,N-DIMETHYLAMINO)PHENYLAMINO]-3,6-BIS(3-PYRROLIDINOPROPIONAMIDO)+ACRIDINE'>BRA</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</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=3ce5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ce5 OCA], [https://pdbe.org/3ce5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ce5 RCSB], [https://www.ebi.ac.uk/pdbsum/3ce5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ce5 ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The crystal structure of a complex between the bimolecular human telomeric quadruplex d(TAGGGTTAGGGT)2 and the experimental anticancer drug BRACO-19, has been determined, to 2.5 A resolution. The binding site for the BRACO-19 molecule is at the interface of two parallel-folded quadruplexes, sandwiched between a G-tetrad surface and a TATA tetrad, and held in the site by networks of water molecules. The structure rationalizes the existing structure-activity data and provides a starting-point for the structure-based design of quadruplex-binding ligands | |||
Structural basis of DNA quadruplex recognition by an acridine drug.,Campbell NH, Parkinson GN, Reszka AP, Neidle S J Am Chem Soc. 2008 May 28;130(21):6722-4. Epub 2008 May 6. PMID:18457389<ref>PMID:18457389</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
== | </div> | ||
<div class="pdbe-citations 3ce5" style="background-color:#fffaf0;"></div> | |||
[[Category: | == References == | ||
[[Category: Campbell | <references/> | ||
[[Category: Neidle | __TOC__ | ||
[[Category: Parkinson | </StructureSection> | ||
[[Category: Reszka | [[Category: Large Structures]] | ||
[[Category: Campbell NH]] | |||
[[Category: Neidle S]] | |||
[[Category: Parkinson GN]] | |||
[[Category: Reszka AP]] | |||
Latest revision as of 12:26, 30 August 2023
A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19
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