Pechenaia V I, Volkov S N
Mol Biol (Mosk). 1984 Jul-Aug;18(4):1134-40.
The hydrogen exchange mechanism of DNA bases imino- and amino protons is explained according to a suggested exchangeable state model. This state can be formed as a result of significant structural fluctuations which are not complete base pair openings. The exchangeable state model represents the hydrogen-bonded complex of two nucleotide bases and one water molecule made up dynamically. Quantum-mechanical calculations for the values of energy as the function of H-bond proton positions in the complex were carried out and the two-proton positions in the complex were carried out and the two-proton transfer is shown to be possible. The suggested model allows to give a noncontradictary interpretation of the hydrogen exchange data in double-helical polynucleotides.
根据所提出的可交换状态模型解释了DNA碱基亚氨基和氨基质子的氢交换机制。这种状态可由显著的结构波动形成,这些波动并非完全的碱基对打开。可交换状态模型表示由两个核苷酸碱基和一个动态组成的水分子形成的氢键复合物。对复合物中作为氢键质子位置函数的能量值进行了量子力学计算,并对复合物中的两个质子位置进行了计算,结果表明双质子转移是可能的。所提出的模型能够对双螺旋多核苷酸中的氢交换数据给出无矛盾的解释。