全氘代：改善中子大分子晶体学中溶剂结构的可视化
Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography.
作者信息
Fisher S J, Blakeley M P, Howard E I, Petit-Haertlein I, Haertlein M, Mitschler A, Cousido-Siah A, Salvay A G, Popov A, Muller-Dieckmann C, Petrova T, Podjarny A
机构信息
Institut Laue-Langevin, 71 Avenue des Martyrs, 38000 Grenoble, France.
IFLYSIB, UNLP-CONICET, Calle 59, 789, B1900BTE La Plata, Argentina.
出版信息
Acta Crystallogr D Biol Crystallogr. 2014 Dec 1;70(Pt 12):3266-72. doi: 10.1107/S1399004714021610. Epub 2014 Nov 28.
The 1.8 Å resolution neutron structure of deuterated type III antifreeze protein in which the methyl groups of leucine and valine residues are selectively protonated is presented. Comparison between this and the 1.85 Å resolution neutron structure of perdeuterated type III antifreeze protein indicates that perdeuteration improves the visibility of solvent molecules located in close vicinity to hydrophobic residues, as cancellation effects between H atoms of the methyl groups and nearby heavy-water molecules (D2O) are avoided.
本文展示了氘代III型抗冻蛋白的1.8 Å分辨率中子结构，其中亮氨酸和缬氨酸残基的甲基被选择性质子化。将此结构与全氘代III型抗冻蛋白的1.85 Å分辨率中子结构进行比较表明，全氘代提高了位于疏水残基附近的溶剂分子的可见性，因为避免了甲基的氢原子与附近重水分子（D2O）之间的抵消效应。
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