Structure of a psoralen cross-linked DNA in solution by nuclear magnetic resonance

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Science  18 Dec 1987:
Vol. 238, Issue 4834, pp. 1722-1725
DOI: 10.1126/science.3686011


One- and two-dimensional nuclear magnetic resonance (NMR) methods were used to determine a three-dimensional model of an eight-base-pair DNA fragment (d-GGGTACCC) cross-linked with psoralen in solution. Two-dimensional nuclear Overhauser effect experiments were used to assign the spectrum and estimate distances for 171 proton pairs in the cross-linked DNA. The NMR-derived model shows a 53 degree bend into the major groove that occurs primarily at the site of drug addition and a 56 degree unwinding that spans the eight-base-pair duplex.