Institute for Quantum Life Science, National Institutes for Quantum and Radiological Science and Technology, 2-4 Shirakata, Tokai, Ibaraki 319-1106, Japan.
Institute for Quantum Life Science, National Institutes for Quantum and Radiological Science and Technology, 2-4 Shirakata, Tokai, Ibaraki 319-1106, Japan.
Curr Opin Struct Biol. 2021 Dec;71:36-42. doi: 10.1016/j.sbi.2021.05.007. Epub 2021 Jun 30.
Hydrogen atoms and hydration water molecules in proteins are indispensable for many biochemical processes, especially enzymatic catalysis. The locations of hydrogen atoms in proteins are usually predicted based on X-ray structures, but it is still very difficult to know the ionization states of the catalytic residues, the hydration structure of the protein, and the characteristics of hydrogen-bonding interactions. Neutron crystallography allows the direct observation of hydrogen atoms that play crucial roles in molecular recognition and the catalytic reactions of enzymes. In this review, we present the current status of neutron crystallography in structural biology and recent neutron structural analyses of three enzymes: ascorbate peroxidase, the main protease of severe acute respiratory syndrome coronavirus 2, and copper-containing nitrite reductase.
氢原子和蛋白质中的水合水分子对于许多生化过程，特别是酶催化作用，是不可或缺的。蛋白质中氢原子的位置通常是根据 X 射线结构预测的，但要了解催化残基的电离状态、蛋白质的水合结构以及氢键相互作用的特性仍然非常困难。中子晶体学允许直接观察在分子识别和酶的催化反应中起关键作用的氢原子。在这篇综述中，我们介绍了结构生物学中中子晶体学的现状以及对三种酶的最新中子结构分析：抗坏血酸过氧化物酶、严重急性呼吸综合征冠状病毒 2 的主要蛋白酶和含铜亚硝酸盐还原酶。
