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以CNDO/2法计算了cAMP和cGMP分子中糖一环磷酸部分的电荷分布.结果表明与磷原子相连的两个环外氧原子具有很高的电子密度,而且轴向氧的稍大于平伏氧的.因此,很可能是两个环外氧原子而不是一个环外氧原子为蛋白激酶调解亚基束缚部位识别。以-CH_2取代O5′,可引起环外两个氧原子电子密度的增加,但仍然保持轴向氧的电子密度稍高于平伏氧电子密度的特点。
The CNDO / 2 method was used to calculate the charge distributions of the cAMP and cGMP molecules. The results show that the two oxygen atoms attached to the phosphorus atom have high electron density and the axial oxygen is slightly larger than that of the p Therefore, it is likely that two extracyclic oxygen atoms rather than an extranodal oxygen atom are recognized by the protein kinase mediator subunit binding site. The substitution of -CH2 for O5 ’results in the increase of the electron density of two oxygen atoms outside the ring, but still retains the electron density of axial oxygen slightly higher than that of the flattened oxygens.