关于静电势图中羧酸盐的出现情况。
On the appearance of carboxylates in electrostatic potential maps.
作者信息
Wang Jimin
机构信息
Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut, 06520.
出版信息
Protein Sci. 2017 Mar;26(3):396-402. doi: 10.1002/pro.3093. Epub 2016 Dec 26.
Abstract
Electron microscopy can provide accurate, high-resolution images of the distribution of electrostatic potential (ESP) in biological macromolecules. Careful examination of ESP maps that have been published for peptides and proteins at resolution ranging from 1.0 Å to 2.9 Å reveals that the negative charges of carboxylate groups have a profound effect on their appearance. It is clear that investigators must take the negative features in their experimental ESP maps into account when modeling the conformations of Asp and Glu side chains and those of the residues that surround them.
摘要
电子显微镜可以提供生物大分子中静电势（ESP）分布的准确、高分辨率图像。仔细检查已发表的分辨率在1.0 Å至2.9 Å之间的肽和蛋白质的ESP图谱发现，羧基的负电荷对其外观有深远影响。很明显，研究人员在对天冬氨酸和谷氨酸侧链及其周围残基的构象进行建模时，必须考虑实验ESP图谱中的负特征。
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