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. 2019 Mar 5;27(3):549–559.e2. doi: 10.1016/j.str.2018.11.003

Figure 7.

Figure 7

Plasma Membrane Mimetic Simulations

(A) Final snapshots of SMO embedded in a PC (yellow), PE (gray), PS (ochre), PIP2 (red), and cholesterol (green) membrane. Protein and lipids are rendered as surfaces. The formation of a PIP2-SMO complex (orange box) is apparent. Water and ions have been omitted for clarity. Other lipid species have been omitted from the right-hand image of the PIP2 encounter complex.

(B) Mean number of PIP2 contacts mapped onto structure, with each residue colored from white (no contact) to red (high contact). The predominant mode of PIP2 contact with SMO can be seen to occur in the head group region, with the acyl tails forming comparatively less contact. Contacts were calculated over an ensemble of 8 × 10 μs of CGMD, using a 6 Å distance cutoff. See the STAR Methods for further details of contact analysis. Each simulation was initiated from a different random distribution of lipids around the protein.