5xew

<table><tr><td colspan='2'>[[5xew]] is a 2 chain structure. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=5erz 5erz]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XEW OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5XEW FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CPH:(1S)-5-DEOXY-1-O-METHYL-1-C-[(2R,3S)-3,5,7,10-TETRAHYDROXY-6-METHYL-4-OXO-1,2,3,4-TETRAHYDROANTHRACEN-2-YL]-D-XYLULOSE'>CPH</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=1GL:4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE'>1GL</scene>, <scene name='pdbligand=ARI:[O4]-ACETOXY-2,3-DIDEOXYFUCOSE'>ARI</scene>, <scene name='pdbligand=CDR:2,3-DIDEOXYFUCOSE'>CDR</scene>, <scene name='pdbligand=ERI:4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-BETA-L-ARABINO-HEXOPYRANOSE'>ERI</scene></td></tr>

<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5erz|5erz]], [[5es0|5es0]]</td></tr>

<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5xew FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xew OCA], [http://pdbe.org/5xew PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xew RCSB], [http://www.ebi.ac.uk/pdbsum/5xew PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xew ProSAT]</span></td></tr>

<div style="background-color:#fffaf0;">

== Publication Abstract from PubMed ==

Small-molecule compounds targeting trinucleotide repeats in DNA have considerable potential as therapeutic or diagnostic agents against many neurological diseases. NiII (Chro)2 (Chro=chromomycin A3) binds specifically to the minor groove of (CCG)n repeats in duplex DNA, with unique fluorescence features that may serve as a probe for disease detection. Crystallographic studies revealed that the specificity originates from the large-scale spatial rearrangement of the DNA structure, including extrusion of consecutive bases and backbone distortions, with a sharp bending of the duplex accompanied by conformational changes in the NiII chelate itself. The DNA deformation of CCG repeats upon binding forms a GGCC tetranucleotide tract, which is recognized by NiII (Chro)2 . The extruded cytosine and last guanine nucleotides form water-mediated hydrogen bonds, which aid in ligand recognition. The recognition can be accounted for by the classic induced-fit paradigm.

Induced-Fit Recognition of CCG Trinucleotide Repeats by a Nickel-Chromomycin Complex Resulting in Large-Scale DNA Deformation.,Tseng WH, Chang CK, Wu PC, Hu NJ, Lee GH, Tzeng CC, Neidle S, Hou MH Angew Chem Int Ed Engl. 2017 Jul 17;56(30):8761-8765. doi:, 10.1002/anie.201703989. Epub 2017 Jun 14. PMID:28544401<ref>PMID:28544401</ref>

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

</div>

<div class="pdbe-citations 5xew" style="background-color:#fffaf0;"></div>

== References ==

<references/>

[[Category: Hou, M H]]

[[Category: Tseng, W H]]

[[Category: Wu, P C]]

[[Category: Consecutive bases flip-out]]

[[Category: Trinucleotide repeat]]