J. Phys. Chem. B, Vol. 110, No. 47, 2006 24275
ADDITIONS AND CORRECTIONS 2006 Volume 110B Sylvia E. McLain,* Alan K. Soper, and Anthony Watts: Structural Studies on the Hydration of L-Glutamic Acid in Solution Pages 21251-21258. After the publication of Structural Studies on the Hydration of L-Glutamic Acid in Solution, we discovered a mistake in this work. Figure 1 is D-glutamate not L-glutamate. Although L-glutamic acid was measured, we inadvertently ran the simulations with the D-form. On discovering this mistake we have run the simulations again with both the D- and L- forms. In fact, we find the perturbation to the water structure and the hydration around the molecule, as measured by the site-site radial distribution functions and the spatial density functions, to be identical for both forms of glutamate in solution. The only thing that is different between the two simulations is the obvious conformation difference between the D- and L- forms of glutamic acid. For this reason Figures 1, 9 and 10 in the original manuscript are incorrect and need to be amended, while the other figures are unchanged. The corrected figures are shown here.
Figure 9. Glutamic acid torsional angle distribution from the Lglutamic acid water system.
Figure 10. Newman projections from the average torsional angles in the glutamic acid molecule from the L-glutamic acid/water system.
Although this erratum corrects an obvious mistake on our part, the comparison of the results with different isomers is informative. Specifically, as a result of our error, we suggest that the hydration of an amino acid (in this case glutamic acid), and the effect it has on the local water structure, do not appear to depend on chirality. Hence while chirality plays a fundamental role in biological structure and function, it apparently does not affect the surrounding hydration water structure. The corresponding diffraction data on D-glutamate in solution needed to confirm this suggestion are currently not available.
Figure 1. Molecular structure of L-glutamic acid from the EPSR modeling box.
10.1021/jp066904+ Published on Web 11/08/2006
