Schneider B, Berman H M
J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic.
Biophys J. 1995 Dec;69(6):2661-9. doi: 10.1016/S0006-3495(95)80136-0.
Ordered hydration sites were determined for the nucleotide bases in B-type conformations using the crystal structure data on 14 B-DNA decamer structures. A method of density representation was extended so that positions, occupancies, and distributions of the hydration sites were predicted around a B-DNA double helix by a method analogous to crystallographic refinement. The predicted hydration sites correctly reproduce the main features of hydration around the B-DNA dodecamer. In contrast to the previous observations, the newly available crystal data show the same extent of hydration of guanine and adenine, and of cytosine and thymine.
利用14种B-DNA十聚体结构的晶体结构数据,确定了B型构象中核苷酸碱基的有序水化位点。扩展了一种密度表示方法,以便通过类似于晶体学精修的方法预测B-DNA双螺旋周围水化位点的位置、占有率和分布。预测的水化位点正确地再现了B-DNA十二聚体周围水化的主要特征。与之前的观察结果相反,新获得的晶体数据显示鸟嘌呤和腺嘌呤、胞嘧啶和胸腺嘧啶的水化程度相同。