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五元环的几何结构:假旋转公式的数学论证

Geometry of the five-membered ring mathematical demonstration of the pseudorotation formulae.

作者信息

Abillon E

出版信息

Biophys Struct Mech. 1982;8(4):257-70. doi: 10.1007/BF00537205.

DOI:10.1007/BF00537205
PMID:7115889
Abstract

The geometrical relations between the 15 typical parameters (bond lengths and angles, torsion angles) of a five-membered ring are derived for any ring then for a regular one. It is demonstrated that for the case of the 20 symmetrical C2 and CS conformations, only geometrical considerations are needed to obtain the pseudorotation formulae for the torsion angles. However, the puckering intensity as well as the bond angle values cannot be expressed from geometrical constraints alone but would require energetical considerations.

摘要

首先推导五元环15个典型参数(键长、键角、扭转角)之间的几何关系,先是针对任意环,然后是针对正则环。结果表明,对于20种对称的C2和CS构象的情况,仅需几何考量就能得出扭转角的假旋转公式。然而,褶皱强度以及键角值不能仅由几何约束来表示,而是需要能量方面的考量。

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本文引用的文献

1
Conformational analysis of ribonucleosides from proton-proton coupling constants.基于质子-质子耦合常数的核糖核苷构象分析
Biochim Biophys Acta. 1980 Nov 14;610(1):47-55. doi: 10.1016/0005-2787(80)90054-4.
2
Studies on the conformation of amino acids. XII. Energy calculations on prolyl residue.氨基酸构象的研究。十二。脯氨酰残基的能量计算。
Biochim Biophys Acta. 1970 Nov 17;221(2):165-81. doi: 10.1016/0005-2795(70)90257-6.
3
Conformational analysis of the sugar ring in nucleosides and nucleotides. A new description using the concept of pseudorotation.
核苷和核苷酸中糖环的构象分析。一种使用假旋转概念的新描述。
J Am Chem Soc. 1972 Nov 15;94(23):8205-12. doi: 10.1021/ja00778a043.