Theoretical exploration of netropsin binding to tRNA(Phe).
Theoretical exploration of netropsin binding to tRNA(Phe).
复制标题
netropsin 与 tRNA（Phe）结合的理论探索。
DOI：
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发表时间：
1985
影响因子：
4.4
通讯作者：
B. Pullman
中科院分区：
文献类型：
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作者：
K. Zakrzewska;B. Pullman
对netropsin与tRNAPhe可能相互作用的理论探索表明，结合应优先发生在大分子的T psi C茎的大沟，特别是碱基G51、U 52、G53和磷酸盐52、53、61和62。这与Rubin和Sundaralingam最近的晶体学结果一致。已经证明，与B-DNA结合的netropsin的差异（其中它特异性地发生在AT序列的小沟中）是由于由这些不同类型的DNA产生的静电分子势的分布的差异：这种电位在B-DNA中是依赖于序列的（位于AT序列的小沟和GC序列的大沟中），而A-RNA中它是序列独立的，总是位于大沟中。结果表明，静电在确定结合位点的位置的主要作用。
Theoretical exploration of the possible interaction of netropsin with tRNAPhe indicates that binding should occur preferentially with the major groove of the T psi C stem of the macromolecule, specifically with the bases G51, U52, G53 and phosphates 52, 53, 61 and 62. This agrees with the recent crystallographic result of Rubin and Sundaralingam. It is demonstrated that the difference with respect to netropsin binding with B-DNA, where it occurs specifically in the minor groove of AT sequences, is due to the differences in the distribution of the electrostatic molecular potential generated by these different types of DNA: this potential is sequence dependent in B-DNA (located in the minor groove of AT sequences and the major groove of GC sequences), while it is sequence independent and always located in the major groove in A-RNA. The result demonstrates the major role of electrostatics in determining the location of the binding site.