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本文报道1.5分辨率去五肽(B 26—30)胰岛素晶体中的水结构。根据扩充F_0的最后的(2F_o—F_c)Fourier图的检验,所讨论的水模型包括81个水分子(电子密度>0.4 e/~3),约占晶体溶剂的三分之二。以2.4—3.2为氢键范围,51个水分子同蛋白质原子成氢键,占水的63％,其中有12个以单水桥接相邻蛋白质分子,更多的以双水桥接相邻蛋白质分子。在蛋白质分子间的一长狭缝中有一个紧凑的水网,两头两个Cd原子通过三个水分子(配位体)像木桩一样支撑着这个水网,表明Cd原子和水网在分子密堆积中的重要作用。
This paper reports the water structure in 1.5-de-Pentapeptide (B 26-30) insulin crystals. According to the final (2F_o-F_c) Fourier plot of extended F_0, the water model in question includes 81 water molecules (electron density> 0.4 e / ~ 3), accounting for about two-thirds of the crystal solvent. To 2.4-3.2 hydrogen bond range, 51 water molecules hydrogen bonds with the protein atom, accounting for 63% of water, of which 12 single water bridging adjacent protein molecules, more water bridged adjacent protein molecules . There is a compact network of water in a long slit between protein molecules. Two Cd atoms on both ends support the water network through three water molecules (ligands) Closely packed in the important role.