Fig. 1: A PIP2-binding site on hKir6.2. | Communications Chemistry

Fig. 1: A PIP2-binding site on hKir6.2.

From: Evaluating inositol phospholipid interactions with inward rectifier potassium channels and characterising their role in disease

Fig. 1: A PIP2-binding site on hKir6.2.

a PIP2 contact analysis showing the fraction of time that residues are in 6 Å proximity to the PIP2 molecule (contact probability). Only residues with a >75% contact probability are shown. Data from five repeats of 1 µs simulations. b Root mean square deviation (RMSD) analysis of the PIP2 molecule headgroup when bound to the hKir6.2 tetramer. The different colours indicate the individual repeats of the simulations (n = 5). The darker lines show the running average for each simulation. c Calculated minimum distance between K67 and the PIP2 headgroup during a 1 µs simulation. The different colours indicate the individual repeats of the simulation. The darker line shows a running average. A dashed black line denotes the distance cut-off used to denote a contact in a. d As in c but for E179 and the PIP2 headgroup. e PIP2-binding site on the hKir6.2 tetramer (green) showing PIP2 (grey with CPK colours), E179 (magenta), and K67 (blue).

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