109d

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spinqualitylabelsall models 109d, resolution 2.000Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2

Overview

An analogue of the DNA-binding compound Hoechst 33258, in which the, piperazine ring has been replaced by an imidazoline group, has been, cocrystallized with the dodecanucleotide sequence d(CGCGAATTCGCG)2. The, structure has been solved by X-ray diffraction analysis and has been, refined to an R-factor of 19.7% at a resolution of 2.0 A. The ligand is, found to bind in the minor groove, at the central four AATT base pairs of, the B-DNA double helix, with the involvement of a number of van der Waals, contacts and hydrogen bonds. There are significant differences in minor, groove width for the two compounds, along much of the AATT region. In, particular this structure shows a narrower groove at the 3' end of the, binding site consistent with the narrower cross-section of the imidazole, group ... [(full description)]

About this Structure

109D is a [Protein complex] structure of sequences from [[1]] with IBB and MG as [ligands]. Full crystallographic information is available from [OCA].

Reference

Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2., Wood AA, Nunn CM, Czarny A, Boykin DW, Neidle S, Nucleic Acids Res. 1995 Sep 25;23(18):3678-84. PMID:7478996

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