296d

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spinqualitylabelsall models 296d, resolution 2.250Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

SEQUENCE-DEPENDENT EFFECTS IN DRUG-DNA INTERACTION: THE CRYSTAL STRUCTURE OF HOECHST 33258 BOUND TO THE D(CGCAAATTTGCG)2 DUPLEX

Overview

The bis-benzimidazole drug Hoechst 33258 has been co-crystallized with the, dodecanucleotide sequence d(CGCAAATTTGCG)2. The structure has been solved, by molecular replacement and refined to an R factor of 18.5% for 2125, reflections collected on a Xentronics area detector. The drug is bound in, the minor groove, at the five base-pair site 5'-ATTTG and is in a unique, orientation. This is displaced by one base pair in the 5' direction, compared to previously-determined structures of this drug with the, sequence d(CGCGAATTCGCG)2. Reasons for this difference in behaviour are, discussed in terms of several sequence-dependent structural features of, the DNA, with particular reference to differences in propeller twist and, minor-groove width.

About this Structure

296D is a Protein complex structure of sequences from [1] with as ligand. Full crystallographic information is available from OCA.

Reference

Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex., Spink N, Brown DG, Skelly JV, Neidle S, Nucleic Acids Res. 1994 May 11;22(9):1607-12. PMID:7515488

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