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Common Internal Allosteric Network Links Anesthetic Binding Sites in a Pentameric Ligand-Gated Ion Channel

Fig 2

Locations of propofol in complex with GLIC.

(a) Transmembrane binding site of GLIC with desflurane (blue, PDB 3P4W), with overlaid propofol from single-ligand simulation (yellow). Ile202, Val242, Thr255, important in propofol binding, are indicated. (b) Extracellular binding site of GLIC with ketamine (green, PDB 4F8H) with overlaid simulated propofol from flooding simulation (yellow). Structural alignments in both cases done by minimizing the distance between protein backbones of the crystal structure with a representative snapshot from simulation trajectory.

Fig 2