1dnh
From Proteopedia
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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 HT 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 Sun Nov 25 03:23:31 2007
