title: On the appearance of carboxylates in electrostatic potential maps.
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.
authors.affiliation: Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut, 06520.
authors.forename: Jimin
authors.initials: J
authors.lastname: Wang
mesh_terms: D001224:Aspartic Acid / Q000737:chemistry*; D018698:Glutamic Acid / Q000737:chemistry*; D008958:Models, Molecular; D055672:Static Electricity
chemical_list: D001224:Aspartic Acid; D018698:Glutamic Acid
keywords: RSCC; electron microscopy; electron scattering; electrostatic potential; protein carboxylate side chain; real-space correlation coefficient