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本文研究了胰岛素晶体中的氢键网络三种情况:螺旋氢键,分子自身极性基团间形成的非螺旋氢键,以及水分子与胰岛素分子间形成的氢键。它们形成错综复杂的交互作用,对胰岛素的结构和功能具有重要意义。修正后的结构显示了较可靠的水结构信息,表明晶胞中大约三分之一的水呈结合状态,它们与胰岛素分子且彼此以氢键结合。胰岛素分子各氨基酸残基的极性和荷电基团表现出最大限度结合氢键倾向,是稳定三维结构的重要因素。
In this paper, three kinds of hydrogen bonding networks in insulin crystal are studied: helical hydrogen bonding, non-helical hydrogen bonding between polar groups of the molecule itself, and hydrogen bonding between water molecules and insulin molecules. They form intricate interactions that are important for the structure and function of insulin. The revised structure shows more reliable water structure information, indicating that about one-third of the water in the unit cell is in a bound state, which binds to the insulin molecule and hydrogen bonds with each other. The polarity of the amino acid residues of the insulin molecule and the charged groups show the tendency to maximize hydrogen bonding and are important factors in stabilizing the three-dimensional structure.