转运核糖核酸构象的分子轨道研究。

A molecular orbital investigation of the conformation of transfer RNA.

作者信息

Perahia D, Pullman B, Vasilescu D, Cornillon R, Broch H

出版信息

Biochim Biophys Acta. 1977 Sep 20;478(2):244-59. doi: 10.1016/0005-2787(77)90188-5.

Abstract

The PCILO method has been used for a theoretical exploration of the conformational properties of tRNAPhe with respect to the phosphodiester torsion angles. The computations were based on the utilisation of the dinucleoside triphosphate model and took into account the different combinations of sugar puckers and different conformations about the C4'-C5' bond. The dependence of the (omega'-omega) conformational energy maps upon these factors was specified. A detailed comparison is carried out between the theoretical results and experimental data on the crystal structure of tRNAPhe produced by four different groups of investigators.

摘要

PCILO方法已被用于对苯丙氨酸转运核糖核酸（tRNAPhe）关于磷酸二酯扭转角的构象性质进行理论探索。计算基于二核苷三磷酸模型的应用，并考虑了糖环构象的不同组合以及C4'-C5'键周围的不同构象。确定了（ω'-ω）构象能量图对这些因素的依赖性。对四组不同研究人员所得到的苯丙氨酸转运核糖核酸晶体结构的理论结果与实验数据进行了详细比较。