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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'''SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX'''<br />
'''SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX'''<br />
==Overview==
==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 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.
==About this Structure==
==About this Structure==
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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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1ON5 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=CHD:'>CHD</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ON5 OCA].
==Reference==
==Reference==
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[[Category: synthetic hybrid]]
[[Category: synthetic hybrid]]
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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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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:19:30 2008''

Revision as of 12:19, 21 February 2008

Image:1on5.gif

1on5

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SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX

Overview

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.

About this Structure

1ON5 is a Protein complex structure of sequences from [1] with as ligand. Full crystallographic 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

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