AAF linked to the guanine amino group: a B-Z junction.
AAF linked to the guanine amino group: a B-Z junction.
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AAF 与鸟嘌呤氨基相连：B-Z 连接。
DOI：
10.1093/nar/11.10.3241
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发表时间：
1983
影响因子：
14.9
通讯作者：
Broyde,S
中科院分区：
文献类型：
--
作者：
Hingerty,B;Broyde,S
最小化的构象势能计算已被用于连接到dCpdG在鸟嘌呤氨基的AAF。这是在DNA中观察到的次要AAF加合物的模型，其构象影响一直难以确定。用类似于Z-DNA的dCpdG残基的扭转角计算了一个全局最小能量构象。这种构象被合并到一个更大的聚合物模型中，在B-Z交界处，致癌物位于Z方向的凹槽中。局部最低能量构象的B型进行了计算。此外，发现芴-胞苷堆积有两个极小值。这些结果表明，现有的B-Z连接可能容易受到AAF在鸟嘌呤氨基上的修饰，或者如果碱基序列合适，这种连接可能会被致癌物诱导。否则，致癌物可能位于B螺旋的小沟中（5，10，11）或共价嵌入（13-15）
Minimized conformational potential energy calculations have been performed for AAF linked to dCpdG at the guanine amino group. This 1s a model for the minor AAF adduct observed in DNA, whose conformational Influence has been difficult to ascertain. A global minimum energy conformation was computed with torsion angles like those of the dCpdG residue of Z-DNA. This conformation was Incorporated into a larger polymer model at a B-Z junction, with the carcinogen residing 1n the groove 1n the Z direction. Local minimum energy conformations of the B type were also computed. In addition, two minima were found with fluorene-cytidine stacking. These results suggest that existing B-Z junctions may be vulnerable to modification by AAF at the guanine amino group, or that such junctions may be Induced by the carcinogen 1f the base sequence 1s appropriate. Otherwise the carcinogen can be located 1n the minor groove of the B helix (5,10,11) or covalently intercalated (13-15)