7n7d
From Proteopedia
(Difference between revisions)
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==Solution structure of the MYC promoter G-quadruplex in complex with berberine: conformer A== | ==Solution structure of the MYC promoter G-quadruplex in complex with berberine: conformer A== | ||
| - | <StructureSection load='7n7d' size='340' side='right'caption='[[7n7d]]' scene=''> | + | <StructureSection load='7n7d' size='340' side='right'caption='[[7n7d]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full | + | <table><tr><td colspan='2'>[[7n7d]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7N7D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7N7D FirstGlance]. <br> |
| - | </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=7n7d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7n7d OCA], [https://pdbe.org/7n7d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7n7d RCSB], [https://www.ebi.ac.uk/pdbsum/7n7d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7n7d ProSAT]</span></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BER:BERBERINE'>BER</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=7n7d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7n7d OCA], [https://pdbe.org/7n7d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7n7d RCSB], [https://www.ebi.ac.uk/pdbsum/7n7d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7n7d ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The medicinal natural product berberine is one of the most actively studied and pursued G-quadruplex (G4)-ligands. The major G-quadruplex formed in the promoter region of the MYC oncogene (MycG4) is an attractive drug target and a prominent example and model structure for parallel G-quadruplexes. G4-targeted berberine derivatives have been actively developed; however, the analogue design was based on a previous crystal structure in which berberine binds as a dimer to a parallel G-quadruplex. Herein, we show that in solution, the binding mode and stoichiometry of berberine are substantially different from the crystal structure: berberine binds as a monomer to MycG4 using a base-recruitment mechanism with a reversed orientation in that the positively charged convex side is actually positioned above the tetrad center. Our structure provides a physiologically relevant basis for the future structure-based rational design of G4-targeted berberine derivatives, and this study demonstrates that it is crucial to validate the ligand-DNA interactions. | ||
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| + | Berberine Molecular Recognition of the Parallel MYC G-Quadruplex in Solution.,Dickerhoff J, Brundridge N, McLuckey SA, Yang D J Med Chem. 2021 Oct 22. doi: 10.1021/acs.jmedchem.1c01508. PMID:34677968<ref>PMID:34677968</ref> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7n7d" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Dickerhoff J]] | + | [[Category: Dickerhoff, J]] |
| - | [[Category: Yang D]] | + | [[Category: Yang, D]] |
| + | [[Category: Berberine]] | ||
| + | [[Category: Cancer]] | ||
| + | [[Category: Dna]] | ||
| + | [[Category: Drug-dna complex]] | ||
| + | [[Category: G-quadruplex dna]] | ||
Current revision
Solution structure of the MYC promoter G-quadruplex in complex with berberine: conformer A
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