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. 2022 Dec 9;42(3):e111065. doi: 10.15252/embj.2022111065

Figure 5. MD Simulations of ABCA7 in Lipid Bilayers.

Figure 5

  • A
    Left: A representative simulation system with four copies of ABCA7 (silver), taken from the POPE/cholesterol (yellow/cyan) lipid patch. Right: the phospholipid belt (blue lines) formed in (top) the POPE/cholesterol (yellow/cyan) and (bottom) POPC/cholesterol (red/cyan) membranes (t = 2 μs).
  • B, C
    Heatmaps representing the average height (z values) of POPC headgroups with respect to the membrane midplane in the extracellular/upper (B) and cytoplasmic/lower (C) leaflets. Phospholipids are observed to climb the protein and form an elevated configuration within the TMD lumen.
  • D
    Snapshot of lipids partitioned in the TMD lumen at t = 2 μs. Polar, nonpolar, basic, and acidic residues are colored green, gray, blue, and red, respectively. TMD2 is hidden for a clearer view of the luminal dome‐like lipid configuration (outlined by blue lines).