Abstract
Molecular mechanics calculations of the binding of spermine to a number of solvated DNA helices have led to the development of a new model for spermine complexation. The structural details of the complexes formed with d(GCGCGCGCGC)2 and d(ATATATATAT)2 decamers allowed a rationalization of the observed experimental differences for binding to these two helices. For d(ATATATATAT)2 - was concluded that spermine remains in a cross-major groove binding site. Conversely, for d(GCGCGCGCGC)2 spermine reorientation via specific ligand-base-pair hydrogen-bond formation allows complexation along the major groove. The solvent plays an important role in differentiating the two binding modes. A mechanism of spermine complexation to natural DNA is postulated from these results. Past experimental data are also considered in the context of the new model.
| Original language | English |
|---|---|
| Pages (from-to) | 107-116 |
| Number of pages | 10 |
| Journal | Proceedings of the Royal Society B: Biological Sciences |
| Volume | 244 |
| Issue number | 1310 |
| DOIs | |
| Publication status | Published - 1991 |
| Externally published | Yes |