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Nucleic Acids Research, 1986, Vol. 14, No. 4 1801-1809
© 1986

Articles

Structural characterisation of the bromouracil.guanine base pair mismatch in a Z-DNA fragment

T. Brown, G. Kneale, W.N. Hunter and O. Kennard

University Chemical Laboratory Lensfield Road, Cambridge CB2 1EW, UK

Received December 17, 1985. Revised January 22, 1986. Accepted January 22, 1986.

The deoxyoligonucleotide d(Br U-G-C-G-C-G) was crystallised at pH 8.2 and its structure analysed by X-ray diffraction. The unit cell, of dimensions a=17.94, b=30.85, c=49.94°A contains four DNA duplexes in space group P2l2l2l . The duplexes are in the Z conformation, with four Watson-crick G.C base pairs and two BrU.G base pairs. The structure was refined to an R factor of 0.16 at a resolution of 2.2°A with 64 solvent molecules located. The BrU.G base pair mismatch is of the wobble type, with both bases in the major tautomer fornuand hydrogen bonds linking 0–2 of BrU with N-l of G and N3 of BrU with 0–6 of G. There is no indication of the presence of ionised base pairs, in spite of the high pH of crystallisation. The results are discussed in terms of the mutagenic properties of 5- bromouracil.


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