6sx3: Difference between revisions

Line 1:

~~'''Unreleased structure'''~~

~~The entry~~ 6sx3 is ~~ON HOLD~~

==Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure==

== Structural highlights ==

<table><tr><td colspan='2'>[[6sx3]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6SX3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6SX3 FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LWQ:~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide'>LWQ</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=6sx3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6sx3 OCA], [http://pdbe.org/6sx3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6sx3 RCSB], [http://www.ebi.ac.uk/pdbsum/6sx3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6sx3 ProSAT]</span></td></tr>

</table>

== Publication Abstract from PubMed ==

G-rich oligonucleotide VK2 folds into an AGCGA-quadruplex, tetrahelical structure distinct and significantly different from G-quadruplexes, even though it contains four G3-tracts. Herein, we show that a bis-quinolinium ligand 360A with high affinity for G-quadruplex structures and selective telomerase inhibition, strongly binds to VK2. Upon binding, 360A does not induce a conformational switch from VK2 to an expected G-quadruplex. In contrast, NMR structural study revealed formation of a well-defined VK2-360A complex with a 1:1 binding stoichiometry, where 360A intercalates between GAGA- and GCGC-quartets in the central cavity of VK2. This is the first high-resolution structure of a G-quadruplex ligand intercalating into a G-rich tetrahelical fold. Unique mode of ligand binding into tetrahelical DNA architecture offers insights into stabilization of an AGCGA-quadruplex by a heterocyclic ligand and provides guidelines for rational design of novel VK2 binding molecules with selectivity for different DNA secondary structures.

~~Authors~~:

Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure.,Plavec J, Kocman V, Kotar A Chemistry. 2019 Nov 21. doi: 10.1002/chem.201904923. PMID:31750579<ref>PMID:31750579</ref>

~~Description~~:

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

[[Category: ~~Unreleased~~ Structures]]

</div>

== References ==

__TOC__

</StructureSection>

[[Category: Large Structures]]

[[Category: Kocman, V]]

[[Category: Kotar, A]]

[[Category: Plavec, J]]

[[Category: Dna]]

[[Category: Intercalation agcga-quadruplex g-quadruplex heterocyclic ligand]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 6sx3 is ON HOLD
+==Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure==
+<StructureSection load='6sx3' size='340' side='right'caption='[[6sx3]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6sx3]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6SX3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6SX3 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LWQ:~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide'>LWQ</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=6sx3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6sx3 OCA], [http://pdbe.org/6sx3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6sx3 RCSB], [http://www.ebi.ac.uk/pdbsum/6sx3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6sx3 ProSAT]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+G-rich oligonucleotide VK2 folds into an AGCGA-quadruplex, tetrahelical structure distinct and significantly different from G-quadruplexes, even though it contains four G3-tracts. Herein, we show that a bis-quinolinium ligand 360A with high affinity for G-quadruplex structures and selective telomerase inhibition, strongly binds to VK2. Upon binding, 360A does not induce a conformational switch from VK2 to an expected G-quadruplex. In contrast, NMR structural study revealed formation of a well-defined VK2-360A complex with a 1:1 binding stoichiometry, where 360A intercalates between GAGA- and GCGC-quartets in the central cavity of VK2. This is the first high-resolution structure of a G-quadruplex ligand intercalating into a G-rich tetrahelical fold. Unique mode of ligand binding into tetrahelical DNA architecture offers insights into stabilization of an AGCGA-quadruplex by a heterocyclic ligand and provides guidelines for rational design of novel VK2 binding molecules with selectivity for different DNA secondary structures.
-Authors:
+Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure.,Plavec J, Kocman V, Kotar A Chemistry. 2019 Nov 21. doi: 10.1002/chem.201904923. PMID:31750579<ref>PMID:31750579</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 6sx3" style="background-color:#fffaf0;"></div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Kocman, V]]
+[[Category: Kotar, A]]
+[[Category: Plavec, J]]
+[[Category: Dna]]
+[[Category: Intercalation agcga-quadruplex g-quadruplex heterocyclic ligand]]