Fig. 4: Structure of ELIC in nanodiscs from MD simulations.
From: Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel
a Atomistic models of spMSP1D1ELIC (gray) equilibrated in a 9 nm and 11 nm MSP nanodisc. The MSP scaffolds are cyan and pink, and POPC is tan. For the top view, the ECD was removed to improve clarity of the TMD and MSP. b Plot of the M2 Cα-atom distance to the pore axis averaged across three independent simulations ( ± SD) for the 9 nm nanodisc (blue), 11 nm nanodisc (red), and bilayer (green) simulations. Two-dimensional plots of M2 (T249)- pore axis distance versus M4 (V316)- pore axis distance are shown for the 9 nm (c), 11 nm (d), and planar bilayer (e) simulations. The distance for the starting structure (spMSP1D1ELIC) is shown as an empty hexagon. f M4 tilt angle relative to the pore axis measured above residue P405. Data is an aggregate across three independent simulations.
