Abstract
AbstractThe hydrogen‐bonding interaction of protein with the adenine–uracil base pair was investigated by the ab initio MO method (STO‐3G level). We found that the stability of the base pair was greatly affected by the hydrogen‐bonding interaction of several residues of protein in different ways, depending on whether the interacting species is charged or neutral, whether the interaction is made from the major groove or minor groove side, and which of the two, adenine or uracil, is hydrogen bonded. These results were interpreted as the cooperative interaction between the base pair hydrogen bonds and external ones. The implications of the present results to biological functions were also discussed.
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