2b3e: Difference between revisions

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[[Image:2b3e.png|left|200px]]


{{STRUCTURE_2b3e| PDB=2b3e | SCENE= }}  
==Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.==
<StructureSection load='2b3e' size='340' side='right'caption='[[2b3e]], [[Resolution|resolution]] 1.36&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2b3e]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B3E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2B3E 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]] 1.36&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DBN:6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE'>DBN</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=2b3e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2b3e OCA], [https://pdbe.org/2b3e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2b3e RCSB], [https://www.ebi.ac.uk/pdbsum/2b3e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2b3e ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The crystal structure of the DNA minor groove biphenyl benzimidazole diamidine ligand DB819 has been determined, bound to the DNA sequence d(CGCGAATTCGCG)(2), at a resolution of 1.36 Angstrom. Conditions for reliable in silico docking that reproduce the observed position of the ligand in the minor groove have been determined.


===Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.===
Targeting the DNA minor groove with fused ring dicationic compounds: comparison of in silico screening and a high-resolution crystal structure.,Campbell NH, Evans DA, Lee MP, Parkinson GN, Neidle S Bioorg Med Chem Lett. 2006 Jan 1;16(1):15-9. Epub 2005 Nov 2. PMID:16263285<ref>PMID:16263285</ref>


{{ABSTRACT_PUBMED_16263285}}
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 
</div>
==About this Structure==
<div class="pdbe-citations 2b3e" style="background-color:#fffaf0;"></div>
[[2b3e]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B3E OCA].
== References ==
 
<references/>
==Reference==
__TOC__
<ref group="xtra">PMID:016263285</ref><ref group="xtra">PMID:018798655</ref><references group="xtra"/>
</StructureSection>
[[Category: Campbell, N H.]]
[[Category: Large Structures]]
[[Category: Evans, D A.]]
[[Category: Campbell NH]]
[[Category: Lee, M P.]]
[[Category: Evans DA]]
[[Category: Neidle, S.]]
[[Category: Lee MP]]
[[Category: Parkinson, G N.]]
[[Category: Neidle S]]
[[Category: A2t2]]
[[Category: Parkinson GN]]
[[Category: Crystal structure of b-dna]]
[[Category: Db819]]
[[Category: Dickerson and drew dodecamer]]
[[Category: Dna]]
[[Category: Dna hydration.]]
[[Category: Dna minor]]
[[Category: Dna minor groove-ligand complex]]
[[Category: Dna-drug complex]]
[[Category: Double helix]]
[[Category: Groove binder]]
[[Category: Hydrated magnesium]]
[[Category: Magnesium-water complex]]
[[Category: Minor groove]]
[[Category: Nucleic acid]]
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