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459d

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[[Image:459d.gif|left|200px]]
 
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==DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG==
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The line below this paragraph, containing "STRUCTURE_459d", creates the "Structure Box" on the page.
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<StructureSection load='459d' size='340' side='right'caption='[[459d]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<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>
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</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>
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<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>
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{{STRUCTURE_459d| PDB=459d | SCENE= }}
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<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>
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</table>
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'''DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG'''
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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==Overview==
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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.
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==About this Structure==
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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>
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=459D OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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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://www.ncbi.nlm.nih.gov/pubmed/10373586 10373586]
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</div>
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[[Category: Aymami, J.]]
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<div class="pdbe-citations 459d" style="background-color:#fffaf0;"></div>
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[[Category: Neidle, S.]]
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== References ==
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[[Category: Nunn, C M.]]
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<references/>
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[[Category: B-dna]]
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__TOC__
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[[Category: Complexed with tris-benzimidazole]]
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</StructureSection>
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[[Category: Deoxyribonucleic acid]]
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[[Category: Large Structures]]
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[[Category: Minor groove binding]]
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[[Category: Aymami J]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:18:53 2008''
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[[Category: Neidle S]]
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[[Category: Nunn CM]]

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DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG

PDB ID 459d

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