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Characteristics of the Watson-Crick type hydrogen-bonded DNA base pairs: An ab initio molecular orbital study

✍ Scribed by Misako Aida

Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
412 KB
Volume
9
Category
Article
ISSN
0192-8651

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✦ Synopsis

Characteristics of the Watson-Crick-type hydrogen-bonded base pairs, thymine-adenine and cytosineguanine, are presented. These were established using an ab initio molecular orbital method. Base-base interactions are revealed to have dominant roles in the structures of nucleic acids and also in their functions. The most stable conformations in Watson-Crick-type base pairs are almost in accord with the structure observed in fiber X-ray diffraction study. Explanations are given of the origin of the sequencedependent local structures which differ from one base pair to the next, as observed in single-crystal X-ray analyses. In the case of the thymine-adenine base pair, it is shown that various geometrical parameters having almost the same stability are available. According to the propeller twist, the instability is not large enough for a base pair to be twisted readily.

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