8bna

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[[Image:8bna.jpg|left|200px]]
 
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==BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA==
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The line below this paragraph, containing "STRUCTURE_8bna", creates the "Structure Box" on the page.
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<StructureSection load='8bna' size='340' side='right'caption='[[8bna]], [[Resolution|resolution]] 2.20&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'>[[8bna]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8BNA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8BNA 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]] 2.2&#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=HT:2-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5-BI-BENZIMIDAZOLE'>HT</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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{{STRUCTURE_8bna| PDB=8bna | 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=8bna FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8bna OCA], [https://pdbe.org/8bna PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8bna RCSB], [https://www.ebi.ac.uk/pdbsum/8bna PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8bna ProSAT]</span></td></tr>
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</table>
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'''BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA'''
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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==Overview==
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[[Category: Dickerson RE]]
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An X-ray crystallographic structure analysis has been carried out on the complex between the antibiotic and DNA fluorochrome Hoechst 33258 and a synthetic B-DNA dodecamer of sequence C-G-C-G-A-A-T-T-C-G-C-G. The drug molecule, which can be schematized as: phenol-benzimidazole-benzimidazole-piperazine, sits within the minor groove in the A-T-T-C region of the DNA double helix, displacing the spine of hydration that is found in drug-free DNA. The NH groups of the benzimidazoles make bridging three-center hydrogen bonds between adenine N-3 and thymine O-2 atoms on the edges of base-pairs, in a manner both mimicking the spine of hydration and calling to mind the binding of the auti-tumor drug netropsin. Two conformers of Hoechst are seen in roughly equal populations, related by 180 degrees rotation about the central benzimidazole-benzimidazole bond: one form in which the piperazine ring extends out from the surface of the double helix, and another in which it is buried deep within the minor groove. Steric clash between the drug and DNA dictates that the phenol-benzimidazole-benzimidazole portion of Hoechst 33258 binds only to A.T regions of DNA, whereas the piperazine ring demands the wider groove characteristic of G.C regions. Hence, the piperazine ring suggests a possible G.C-reading element for synthetic DNA sequence-reading drug analogs.
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[[Category: Grzeskowiak K]]
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[[Category: Pjura PE]]
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==About this Structure==
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8BNA OCA].
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==Reference==
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Binding of Hoechst 33258 to the minor groove of B-DNA., Pjura PE, Grzeskowiak K, Dickerson RE, J Mol Biol. 1987 Sep 20;197(2):257-71. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/2445998 2445998]
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[[Category: Dickerson, R E.]]
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[[Category: Grzeskowiak, K.]]
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[[Category: Pjura, P E.]]
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[[Category: B-dna]]
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[[Category: Complexed with drug]]
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[[Category: Double helix]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:48:52 2008''
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Current revision

BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA

PDB ID 8bna

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