1dnh
From Proteopedia
(New page: 200px<br /><applet load="1dnh" size="450" color="white" frame="true" align="right" spinBox="true" caption="1dnh, resolution 2.250Å" /> '''THE MOLECULAR STRUC...) |
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| - | [[Image:1dnh.jpg|left|200px]]<br /><applet load="1dnh" size=" | + | [[Image:1dnh.jpg|left|200px]]<br /><applet load="1dnh" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1dnh, resolution 2.250Å" /> | caption="1dnh, resolution 2.250Å" /> | ||
'''THE MOLECULAR STRUCTURE OF THE COMPLEX OF HOECHST 33258 AND THE DNA DODECAMER D(CGCGAATTCGCG)'''<br /> | '''THE MOLECULAR STRUCTURE OF THE COMPLEX OF HOECHST 33258 AND THE DNA DODECAMER D(CGCGAATTCGCG)'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The crystal structure of the complex between the dodecamer d(CGCGAATTCGCG) | + | The crystal structure of the complex between the dodecamer d(CGCGAATTCGCG) and a synthetic dye molecule Hoechst 33258 was solved by X-ray diffraction analysis and refined to an R-factor of 15.7% at 2.25 A resolution. The crescent-shaped Hoechst compound is found to bind to the central four AATT base pairs in the narrow minor groove of the B-DNA double helix. The piperazine ring of the drug has its flat face almost parallel to the aromatic bisbenzimidazole ring and lies sideways in the minor groove. No evidence of disordered structure of the drug is seen in the complex. The binding of Hoechst to DNA is stabilized by a combination of hydrogen bonding, van der Waals interaction and electrostatic interactions. The binding preference for AT base pairs by the drug is the result of the close contact between the Hoechst molecule and the C2 hydrogen atoms of adenine. The nature of these contacts precludes the binding of the drug to G-C base pairs due to the presence of N2 amino groups of guanines. The present crystal structural information agrees well with the data obtained from chemical footprinting experiments. |
==About this Structure== | ==About this Structure== | ||
| - | 1DNH is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with HT as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | + | 1DNH is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=HT:'>HT</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1DNH OCA]. |
==Reference== | ==Reference== | ||
The molecular structure of the complex of Hoechst 33258 and the DNA dodecamer d(CGCGAATTCGCG)., Teng MK, Usman N, Frederick CA, Wang AH, Nucleic Acids Res. 1988 Mar 25;16(6):2671-90. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=2452403 2452403] | The molecular structure of the complex of Hoechst 33258 and the DNA dodecamer d(CGCGAATTCGCG)., Teng MK, Usman N, Frederick CA, Wang AH, Nucleic Acids Res. 1988 Mar 25;16(6):2671-90. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=2452403 2452403] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| - | [[Category: Frederick, C | + | [[Category: Frederick, C A.]] |
| - | [[Category: Teng, M | + | [[Category: Teng, M K.]] |
[[Category: Usman, N.]] | [[Category: Usman, N.]] | ||
| - | [[Category: Wang, A | + | [[Category: Wang, A H.J.]] |
[[Category: HT]] | [[Category: HT]] | ||
[[Category: b-dna]] | [[Category: b-dna]] | ||
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[[Category: double helix]] | [[Category: double helix]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:18:27 2008'' |
Revision as of 10:18, 21 February 2008
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THE MOLECULAR STRUCTURE OF THE COMPLEX OF HOECHST 33258 AND THE DNA DODECAMER D(CGCGAATTCGCG)
Overview
The crystal structure of the complex between the dodecamer d(CGCGAATTCGCG) and a synthetic dye molecule Hoechst 33258 was solved by X-ray diffraction analysis and refined to an R-factor of 15.7% at 2.25 A resolution. The crescent-shaped Hoechst compound is found to bind to the central four AATT base pairs in the narrow minor groove of the B-DNA double helix. The piperazine ring of the drug has its flat face almost parallel to the aromatic bisbenzimidazole ring and lies sideways in the minor groove. No evidence of disordered structure of the drug is seen in the complex. The binding of Hoechst to DNA is stabilized by a combination of hydrogen bonding, van der Waals interaction and electrostatic interactions. The binding preference for AT base pairs by the drug is the result of the close contact between the Hoechst molecule and the C2 hydrogen atoms of adenine. The nature of these contacts precludes the binding of the drug to G-C base pairs due to the presence of N2 amino groups of guanines. The present crystal structural information agrees well with the data obtained from chemical footprinting experiments.
About this Structure
1DNH is a Protein complex structure of sequences from [1] with as ligand. Full crystallographic information is available from OCA.
Reference
The molecular structure of the complex of Hoechst 33258 and the DNA dodecamer d(CGCGAATTCGCG)., Teng MK, Usman N, Frederick CA, Wang AH, Nucleic Acids Res. 1988 Mar 25;16(6):2671-90. PMID:2452403
Page seeded by OCA on Thu Feb 21 12:18:27 2008
