The 3D Structure of DNA: The analysis of a 2D NOESY 1H NMR Spectrum.

Molecules such as DNA have complicated three dimensional structures, which makes interpreting their spectral and other properties difficult. From the days of Watson and Crick, models have been essential. Here we hope to deliver to you the three vital components; the model, the spectrum, and the interpretation. Shown is the NOESY 2D NMR spectrum of the hairpin loop oligonucleotide CGCGTTTTCGCG, taken from K. M. Banks, D. R. Hare and B. R. Reid, Biochemistry, 1989, 28, 6996.

The model can be obtained by clicking on the small "thumbnail" picture of the DNS oligomer in the top right corner. The spectrum is as you see it. The interpretation is provided by clicking on individual cross-peaks.

There are two types of nOe cross-peak. Those arising between close approach of the anomeric and aromatic protons of the SAME base, and those arising out of proximity between an anomeric proton and aromatic proton of DIFFERENT bases. To take full advantage of this analysis, you will need to install the RasMol program on a Unix Workstation. Click first on the image of the DNA loop to activate the Rasmol viewer. Click then on coloured cross-peaks in the 2D NOESY spectrum to trace out the NOE connectivity.

H. S. Rzepa, Imperial College, London. 1994.

The 2D Spectrum of InterLeukin-8.

Click first on the image of the protein to bring up RasMol, and then on individual peaks to highlight the inter-chain contacts.

M. Hargreaves, Glaxo Group Research, London. 1994.