核酸片段构象参数分析。I. 核苷和核苷酸的单晶

Analysis of conformational parameters in nucleic acid fragments. I. Single crystals of nucleosides and nucleotides.

作者信息

Wilson C C

机构信息

Neutron Division, Rutherford Appleton Laboratory, Chilton, Oxon, UK.

出版信息

Nucleic Acids Res. 1987 Nov 11;15(21):8577-91. doi: 10.1093/nar/15.21.8577.

DOI:10.1093/nar/15.21.8577

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC306392/

Abstract

A study has been undertaken of conformational parameters in single crystal structures of nucleosides and nucleotides using the techniques of helical conformational analysis. A "quasi-helix" was generated from the geometry of base-paired structures, using published data extracted from the Cambridge structural database. A total of 54 base-pairs were found in these structures, for each of which were calculated hydrogen bond parameters, propeller twist, buckle and C1'-C1' separations. These were analysed according to various classifications. Propeller twists are found to show a wide range of values and the magnitude of twist appears to be unrelated to hydrogen bond parameters or C1'-C1' separation. The values of the buckle parameter vary over a smaller range of values and are unrelated to propeller twist magnitude. There is found to be a greater tendency to form homo-base-pairs among compounds containing adenine bases.

摘要

利用螺旋构象分析技术，对核苷和核苷酸单晶结构中的构象参数进行了一项研究。使用从剑桥结构数据库中提取的已发表数据，从碱基对结构的几何形状生成了一个“准螺旋”。在这些结构中总共发现了54个碱基对，针对每个碱基对计算了氢键参数、螺旋桨扭转、弯曲和C1'-C1'间距。根据各种分类对这些参数进行了分析。发现螺旋桨扭转呈现出广泛的值范围，并且扭转幅度似乎与氢键参数或C1'-C1'间距无关。弯曲参数的值在较小的值范围内变化，并且与螺旋桨扭转幅度无关。发现在含腺嘌呤碱基的化合物中形成同型碱基对的倾向更大。

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