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. 2018 Sep 11;8:13600. doi: 10.1038/s41598-018-31926-0

Figure 2.

Figure 2

Snapshots from atomistic molecular dynamics simulations show that GluCer affects TLR4 orientation. Snapshots at time 0 (left panels) and at 2 µs (middle and right panels) showing the simulated TLR4 complex in the ‘face’ orientation (when both monomers are aligned to directly face the viewer; left and middle panels) and the ‘side’ orientation (when the ‘face’ is rotated 90°; right panels). (A–C) The LPS/TLR4 complex when GluCer is present in the membrane. (D–F) The TLR4 complex without LPS and when GluCer is present in the membrane. (G–I) The LPS/TLR4 complex when GluCer is absent from the membrane. (J–L) The TLR4 complex without LPS and when GluCer is absent from the membrane. Green, TLR4 dimer complex; red, glycans; blue, LPS; white, membrane lipids; purple, GluCer.