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[[Image:459d.gif|left|200px]]<br /><applet load="459d" size="350" color="white" frame="true" align="right" spinBox="true"
caption="459d, resolution 2.3&Aring;" />
'''DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG'''<br />


==Overview==
==DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG==
<StructureSection load='459d' size='340' side='right'caption='[[459d]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[459d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=459D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=459D 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]] 2.3&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CBR:5-BROMO-2-DEOXY-CYTIDINE-5-MONOPHOSPHATE'>CBR</scene>, <scene name='pdbligand=TBZ:2-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5,2,5-TRI-BENZIMIDAZOLE'>TBZ</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=459d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=459d OCA], [https://pdbe.org/459d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=459d RCSB], [https://www.ebi.ac.uk/pdbsum/459d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=459d ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The crystal structure of the non-self-complementary dodecamer DNA duplex formed by d(CG[5BrC]ATAT-TTGCG) and d(CGCAAATATGCG) has been solved to 2.3 A resolution, together with that of its complex with the tris-benzimidazole minor groove binding ligand TRIBIZ. The inclusion of a bromine atom on one strand in each structure enabled the possibility of disorder to be discounted. The native structure has an exceptional narrow minor groove, of 2.5-2.6 A in the central part of the A/T region, which is increased in width by approximately 0.8 A on drug binding. The ligand molecule binds in the central part of the sequence. The benzimidazole subunits of the ligand participate in six bifurcated hydrogen bonds with A:T base pair edges, three to each DNA strand. The presence of a pair of C-H...O hydrogen bonds has been deduced from the close proximity of the pyrrolidine group of the ligand to the TpA step in the sequence.
The crystal structure of the non-self-complementary dodecamer DNA duplex formed by d(CG[5BrC]ATAT-TTGCG) and d(CGCAAATATGCG) has been solved to 2.3 A resolution, together with that of its complex with the tris-benzimidazole minor groove binding ligand TRIBIZ. The inclusion of a bromine atom on one strand in each structure enabled the possibility of disorder to be discounted. The native structure has an exceptional narrow minor groove, of 2.5-2.6 A in the central part of the A/T region, which is increased in width by approximately 0.8 A on drug binding. The ligand molecule binds in the central part of the sequence. The benzimidazole subunits of the ligand participate in six bifurcated hydrogen bonds with A:T base pair edges, three to each DNA strand. The presence of a pair of C-H...O hydrogen bonds has been deduced from the close proximity of the pyrrolidine group of the ligand to the TpA step in the sequence.


==About this Structure==
DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand.,Aymami J, Nunn CM, Neidle S Nucleic Acids Res. 1999 Jul 1;27(13):2691-8. PMID:10373586<ref>PMID:10373586</ref>
459D is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=TBZ:'>TBZ</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=459D OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand., Aymami J, Nunn CM, Neidle S, Nucleic Acids Res. 1999 Jul 1;27(13):2691-8. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10373586 10373586]
</div>
[[Category: Protein complex]]
<div class="pdbe-citations 459d" style="background-color:#fffaf0;"></div>
[[Category: Aymami, J.]]
== References ==
[[Category: Neidle, S.]]
<references/>
[[Category: Nunn, C M.]]
__TOC__
[[Category: TBZ]]
</StructureSection>
[[Category: b-dna]]
[[Category: Large Structures]]
[[Category: complexed with tris-benzimidazole]]
[[Category: Aymami J]]
[[Category: deoxyribonucleic acid]]
[[Category: Neidle S]]
[[Category: minor groove binding]]
[[Category: Nunn CM]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:12:22 2008''

Latest revision as of 00:35, 28 December 2023

DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG

459d, resolution 2.30Å

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