A MOLECULAR MECHANICS STUDY OF SPERMINE COMPLEXATION TO DNA - A NEW MODEL FOR SPERMINE POLY(DG-DC) BINDING

被引:35
作者
HAWORTH, IS
RODGER, A
RICHARDS, WG
机构
[1] Physical Chemistry Laboratory, Oxford OXI 3QZ, South Parks Road
关键词
D O I
10.1098/rspb.1991.0058
中图分类号
Q [生物科学];
学科分类号
07 ; 0710 ; 09 ;
摘要
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 it 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.
引用
收藏
页码:107 / 116
页数:10
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