Hydrogen bond geometry in DNA-minor groove binding drug complexes

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Hydrogen bond geometry in DNA-minor groove binding drug complexes.

The geometry of the hydrogen bonding interaction between DNA and minor-groove binding drugs has been analyzed from a sample of 22 crystal structures of DNA-drug complexes, retrieved from the Nucleic Acid Database. Seventy-seven interactions between the drugs and acceptor groups in the nucleotide bases can be classified as hydrogen bonds. Their geometry departs significantly from linearity since...

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Interactions between proteins, drugs, water and B-DNA minor groove have been analyzed in crystal structures of 60 protein-DNA and 14 drug-DNA complexes. It was found that only purine N3, pyrimidine O2, guanine N2 and deoxyribose O4' are involved in the interactions, and that contacts to N3 and O2 are most frequent and more polar than contacts to O4'. Many protein contacts are mediated by water,...

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ژورنال

عنوان ژورنال: Nucleic Acids Research

سال: 1996

ISSN: 1362-4962

DOI: 10.1093/nar/24.17.3458