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Nucleic Acids Research, 1977, Vol. 4, No. 11 3855-3862
© 1977

Articles

Stereochemical model for proflavine intercalation in A-DNA

Charles J. Alden* and Struther Arnott{dagger}

Department of Biological Sciences, Purdue University West Lafayette, IN 47907, USA

{dagger}To whom correspondence should be addressed

Received August 16, 1977.

Linked-atom molecular modelling was employed to determine the steric and torsional requirements for intercalation of proflavine into a double-stranded region of DNA compatible with adjacent regions of cohelical A-DNA. The optimum intercalation conformation is characterized by the dihedral angles {xi} and {Psi} becoming trans, with all sugars retaining the characteristic C3'-endo pucker. This extended conformation results in virtually no helical unwinding, suggesting it may be an appropriate model for an intercalative intermediary in mutagenesis by virtue of its similarity to standard helical DNA.

*Current address: Department of Biochemistry Duke University, Durham, North Carolina 27710


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