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Nucleic Acids Research, 1994, Vol. 22, No. 9 1607-1612
© 1994

STRUCTURAL BIOLOGY

Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex

N. Spink, D.G. Brown+, J.V. Skelly and S. Neidle*

The CRC Biomolecular Structure Unit, The Institute of Cancer Research Sutton, Surrey SM2 5NG, UK

*To whom correspondence should be addressed

Received February 9, 1994. Revised March 28, 1994. Accepted March 28, 1994.

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.

+Present address: The Randall Institute, King's College London, London WC2B 5RL, UK


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