Direct determination of the positions of the deuterium atoms of the bound water in concanavalin A by neutron Laue crystallography
Direct determination of the positions of the deuterium atoms of the bound water in concanavalin A by neutron Laue crystallography
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DOI：
10.1107/s0907444900002353
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发表时间：
2000-05-01
影响因子：
2.2
通讯作者：
Helliwell, JR
中科院分区：
文献类型：
--
作者：
Habash, J;Raftery, J;Helliwell, JR
中子劳厄衍射揭示了伴刀豆球蛋白A中许多结合沃茨的氘（D）原子的正确位置。该方法包括这些水D原子显示出足够的流动性，使它们即使在超高分辨率同步辐射X射线晶体学中也不可见的情况。结合水H原子的位置计算的化学和能量的考虑的基础上往往是不正确的。详细描述了伴刀豆球蛋白A的Mn-，Ca-和糖结合位点中水分子的D-原子位置。
The correct positions of the deuterium (D) atoms of many of the bound waters in the protein concanavalin A are revealed by neutron Laue diffraction. The approach includes cases where these water D atoms show enough mobility to render them invisible even to ultra-high resolution synchrotron-radiation X-ray crystallography. The positions of the bound water H atoms calculated on the basis of chemical and energetic considerations are often incorrect. The D-atom positions for the water molecules in the Mn-, Ca- and sugar-binding sites of concanavalin A are described in detail.