Erratum: TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS (Proceedings of the National Academy of Sciences of the United States of America (2016) 113 (E884–E893) DOI: 10.1073/pnas.1525639113)

Correction for “TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS,” by Ying Wang, Lijing Su, Matthew D. Morin, Brian T. Jones, Landon R. Whitby, Murali M. R. P. Surakattula, Hua Huang, Hexin Shi, Jin Huk Choi, Kuan-wen Wang, Eva Marie Y. Moresco, Michael Berger, Xiaoming Zhan, Hong Zhang, Dale L. Boger, and Bruce Beutler, which was first published February 1, 2016; 10.1073/pnas.1525639113 (Proc. Natl. Acad. Sci. U.S.A. 113, E884–E893). Recently, Dr. Yibo Wang, Dr. Hongshuang Wang, and Professor Xiaohui Wang, from the Laboratory of Chemical Biology, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, brought to our attention that R-Neoseptin-3 (the inactive enantiomer) was modeled into the crystal structure of TLR4/MD-2/Neoseptin-3 obtained from co-crystallization of TLR4/MD-2 with the active enantiomer S-Neoseptin-3, published in PNAS. The electron density map does not have high enough resolution (2.57 Å) to distinguish between R- and S-enantiomers of Neoseptin-3. S-Neo-3_A fits the density data as well as the modeled R-Neo-3_A. S-Neo-3_B fits the density data slightly better than R-Neo-3_B at the phenyl group. The overall conformations of the two S-Neoseptin-3 molecules are extremely similar to those of the two R-Neoseptin-3 molecules modeled in the structure (Fig. 5). The key interactions between S-Neoseptin-3 and TLR4/MD-2 are the same as those between the modeled R-Neoseptin-3 and TLR4/MD-2 (Fig. 6). Our conclusions as to how activation of TLR4/MD2 is induced by S-Neoseptin-3 have not changed. We have replaced the coordinates of the crystal structure of TLR4/MD-2/R-Neoseptin-3 with the coordinates of TLR4/MD2/S-Neoseptin-3 in Protein Data Bank under the same accession code 5IJC. The authors note that Figs. 5 and 6 in the main article and Fig. S2 in the SI Appendix appeared incorrectly. The corrected main figures and their legends appear below. The SI Appendix has been corrected online. (Figure Presented).