1on5

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[[Image:1on5.gif|left|200px]]
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{{Seed}}
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[[Image:1on5.png|left|200px]]
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{{STRUCTURE_1on5| PDB=1on5 | SCENE= }}
{{STRUCTURE_1on5| PDB=1on5 | SCENE= }}
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'''SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX'''
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===SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX===
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==Overview==
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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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The line below this paragraph, {{ABSTRACT_PUBMED_12885228}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 12885228 is the PubMed ID number.
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{{ABSTRACT_PUBMED_12885228}}
==About this Structure==
==About this Structure==
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ON5 OCA].
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Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ON5 OCA].
==Reference==
==Reference==
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[[Category: Steroid]]
[[Category: Steroid]]
[[Category: Synthetic hybrid]]
[[Category: Synthetic hybrid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 04:03:12 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 11:43:45 2008''

Revision as of 08:43, 29 July 2008

Image:1on5.png

Template:STRUCTURE 1on5

SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX

Template:ABSTRACT PUBMED 12885228

About this Structure

Full experimental information is available from OCA.

Reference

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

Page seeded by OCA on Tue Jul 29 11:43:45 2008

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