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263d

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(New page: 200px<br /><applet load="263d" size="350" color="white" frame="true" align="right" spinBox="true" caption="263d, resolution 2.200&Aring;" /> '''ISOHELICITY AND PHA...)
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==Overview==
==Overview==
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The crystal structure is reported of a tris(benzimidazole) analogue of the, minor-groove drug Hoechst 33258 bound to the sequence d(CGCAAATTTGCG)2., The structure has been refined to an R factor of 17.4% at a resolution of, 2.2 A. The ligand covers approximately 7 1/2 base pairs, including the, 5'-AAATTT central sequence. This has an exceptionally narrow minor-groove, width, together with high propeller twists for individual base pairs. The, ligand has a highly twisted structure, with an overall twist of 50 degrees, between aromatic rings. All three benzimidazole subunits are in register, with the DNA, and there is a symmetric group of six hydrogen bonds between, ligand and A.T base-pair edges. By contrast, the ligand does not show an, optimal isohelical fit to the DNA. The correct phasing of drug and DNA, base pairs is ensured by a number of changes to the DNA such that the, central 5'-AAATTT region is slightly unwound relative to the structures of, other noncovalent minor-groove drug complexes.
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The crystal structure is reported of a tris(benzimidazole) analogue of the minor-groove drug Hoechst 33258 bound to the sequence d(CGCAAATTTGCG)2. The structure has been refined to an R factor of 17.4% at a resolution of 2.2 A. The ligand covers approximately 7 1/2 base pairs, including the 5'-AAATTT central sequence. This has an exceptionally narrow minor-groove width, together with high propeller twists for individual base pairs. The ligand has a highly twisted structure, with an overall twist of 50 degrees between aromatic rings. All three benzimidazole subunits are in register with the DNA, and there is a symmetric group of six hydrogen bonds between ligand and A.T base-pair edges. By contrast, the ligand does not show an optimal isohelical fit to the DNA. The correct phasing of drug and DNA base pairs is ensured by a number of changes to the DNA such that the central 5'-AAATTT region is slightly unwound relative to the structures of other noncovalent minor-groove drug complexes.
==About this Structure==
==About this Structure==
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Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex., Clark GR, Gray EJ, Neidle S, Li YH, Leupin W, Biochemistry. 1996 Oct 29;35(43):13745-52. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8901516 8901516]
Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex., Clark GR, Gray EJ, Neidle S, Li YH, Leupin W, Biochemistry. 1996 Oct 29;35(43):13745-52. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8901516 8901516]
[[Category: Protein complex]]
[[Category: Protein complex]]
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[[Category: Clark, G.R.]]
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[[Category: Clark, G R.]]
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[[Category: Gray, E.J.]]
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[[Category: Gray, E J.]]
[[Category: Leupin, W.]]
[[Category: Leupin, W.]]
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[[Category: Li, Y.H.]]
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[[Category: Li, Y H.]]
[[Category: Neidle, S.]]
[[Category: Neidle, S.]]
[[Category: TBZ]]
[[Category: TBZ]]
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[[Category: double helix]]
[[Category: double helix]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jan 29 17:49:44 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:21:57 2008''

Revision as of 14:21, 21 February 2008

Image:263d.jpg

263d, resolution 2.200Å

Drag the structure with the mouse to rotate

ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX

Overview

The crystal structure is reported of a tris(benzimidazole) analogue of the minor-groove drug Hoechst 33258 bound to the sequence d(CGCAAATTTGCG)2. The structure has been refined to an R factor of 17.4% at a resolution of 2.2 A. The ligand covers approximately 7 1/2 base pairs, including the 5'-AAATTT central sequence. This has an exceptionally narrow minor-groove width, together with high propeller twists for individual base pairs. The ligand has a highly twisted structure, with an overall twist of 50 degrees between aromatic rings. All three benzimidazole subunits are in register with the DNA, and there is a symmetric group of six hydrogen bonds between ligand and A.T base-pair edges. By contrast, the ligand does not show an optimal isohelical fit to the DNA. The correct phasing of drug and DNA base pairs is ensured by a number of changes to the DNA such that the central 5'-AAATTT region is slightly unwound relative to the structures of other noncovalent minor-groove drug complexes.

About this Structure

263D is a Protein complex structure of sequences from [1] with as ligand. Full crystallographic information is available from OCA.

Reference

Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex., Clark GR, Gray EJ, Neidle S, Li YH, Leupin W, Biochemistry. 1996 Oct 29;35(43):13745-52. PMID:8901516

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