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Nucleic Acids Research, 1988, Vol. 16, No. 2 665-684
© 1988

Articles

Sequence specific molecular recognition by a monocationic lexitropsin of the decadeoxyribo-nucleotide d-[CATGGCCATGl2: structural and dynamic aspects deduced from high Held 1H-NMR studies

Moses Lee1, John A. Hartley1, Richard T. Pon, Krzysztof Krowicki1 and J.William Lown1

Regional DNA Synthesis Laboratory, University of Calgary Calgary, Alberta T2N 4N1 1Department of Chemistry, University of Alberta Edmonton, Alberta T6G 2G2, Canada

Received October 30, 1987. Accepted November 20, 1987.

All 1H-NMR resonances of d-[CATGGCCATG]2 and the 1:1 complex of lexitropsin 1 and the DNA were assigned by the HOE difference, COSY and NOESY aethods. Addition of 1 causes the base and imino protons for the sequence 5'-CCAT to undergo the most marked drug-induced chemical shift changes, thereby indicating that 1 is located in this base pair sequence. NOEs confirmed the location and orientation of the drug in the 1:1 complex, with the amino terminus oriented to C(6). The van der Waals interaction between H12a,b of 1 and AB2(8) nay be responsible for reading of the 3' A.T base pair in the 5'-CCAT sequence. Exchange NMR effects allow an estimate of ~= 62 s–1 for the intramolecular "slide-swing" exchange of the lexitropsin between two equivalent binding sites with {delta}G!= = 58 ± 5 kJ mol–1 at 301°K.


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