1on5

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(New page: 200px<br /><applet load="1on5" size="450" color="white" frame="true" align="right" spinBox="true" caption="1on5" /> '''SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED D...)
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[[Image:1on5.gif|left|200px]]<br /><applet load="1on5" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1on5" />
 
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'''SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX'''<br />
 
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==Overview==
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==SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX==
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The three-dimensional structure of a covalent hybrid between cholic acid, and the self-complementary DNA hexamer 5'-TGCGCA-3' was solved via, two-dimensional NMR and restrained torsion angle molecular dynamics. In, the complex, refined to a pairwise rmsd of 0.64 A, the steroid binds to, the terminal T:A base pairs via extensive van der Waals contacts but, without any hydrogen bonds or detectable dipole-dipole interactions. The, contacts involve the methyl groups as well as one edge of the streoid's, sterane skeleton and both nucleobases and the deoxyriboses of the terminal, base pair of the DNA. The surprising shape complementarity between steroid, and the undisturbed DNA termini explains the increase in fidelity and, affinity observed for hybridization probes bearing bile acid residues., Since the hydroxyl groups of the steroid do not contribute to the binding, of the DNA, they may be derivatized, potentially giving access to a new, class of specific binders for blunt ends of Watson-Crick duplexes.
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<StructureSection load='1on5' size='340' side='right'caption='[[1on5]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1on5]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ON5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ON5 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">Solution NMR</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=5AT:5-AMINO-5-DEOXYTHYMIDINE'>5AT</scene>, <scene name='pdbligand=CHD:CHOLIC+ACID'>CHD</scene></td></tr>
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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=1on5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1on5 OCA], [https://pdbe.org/1on5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1on5 RCSB], [https://www.ebi.ac.uk/pdbsum/1on5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1on5 ProSAT]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The three-dimensional structure of a covalent hybrid between cholic acid and the self-complementary DNA hexamer 5'-TGCGCA-3' was solved via two-dimensional NMR and restrained torsion angle molecular dynamics. In the complex, refined to a pairwise rmsd of 0.64 A, the steroid binds to the terminal T:A base pairs via extensive van der Waals contacts but without any hydrogen bonds or detectable dipole-dipole interactions. The contacts involve the methyl groups as well as one edge of the streoid's sterane skeleton and both nucleobases and the deoxyriboses of the terminal base pair of the DNA. The surprising shape complementarity between steroid and the undisturbed DNA termini explains the increase in fidelity and affinity observed for hybridization probes bearing bile acid residues. Since the hydroxyl groups of the steroid do not contribute to the binding of the DNA, they may be derivatized, potentially giving access to a new class of specific binders for blunt ends of Watson-Crick duplexes.
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==About this Structure==
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Solution structure of a steroid-DNA complex with cholic acid residues sealing the termini of a Watson-Crick duplex.,Tuma J, Richert C Biochemistry. 2003 Aug 5;42(30):8957-65. PMID:12885228<ref>PMID:12885228</ref>
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1ON5 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with CHD as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1ON5 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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Solution structure of a steroid-DNA complex with cholic acid residues sealing the termini of a Watson-Crick duplex., Tuma J, Richert C, Biochemistry. 2003 Aug 5;42(30):8957-65. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12885228 12885228]
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</div>
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[[Category: Protein complex]]
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<div class="pdbe-citations 1on5" style="background-color:#fffaf0;"></div>
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[[Category: Richert, C.]]
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== References ==
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[[Category: Tuma, J.]]
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<references/>
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[[Category: CHD]]
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__TOC__
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[[Category: dna]]
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</StructureSection>
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[[Category: steroid]]
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[[Category: Large Structures]]
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[[Category: synthetic hybrid]]
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[[Category: Richert C]]
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[[Category: Tuma J]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 01:08:33 2007''
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Current revision

SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX

PDB ID 1on5

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