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. 2022 Feb 23;13:1022. doi: 10.1038/s41467-022-28361-1

Fig. 3. Lateral openings facilitate access of glycolipids to the central translocation pathway.

Fig. 3

a Representative view of the solvent-exposed cavity of inward-facing and outward-facing LtaA as observed during MD simulations. b Analysis of distances between TM helices lining the cytoplasmic and extracellular lateral openings of outward-facing and inward-facing models. The center of masses of the Cα atoms of extracellular residues 52–57 (TM2), 163–167 (TM5), 250–255 (TM8), 364–367 (TM11), and of cytoplasmic residues 77–81 (TM2), 139–143 (TM5), 273–276 (TM8), 341–344 (TM11), were used for the calculation of inter-TM distances. c Intrusion of gentiobiosyl-diacylglycerol (black spheres) and POPG (blue spheres) molecules in the extracellular cavity of LtaA during simulations. d Intrusion of gentiobiosyl-diacylglycerol (black spheres) in the intracellular cavity of the AF inward-facing model of LtaA during simulations. N-terminal and C-terminal domains are shown in light orange and light blue, respectively.