Charged Residues Distribution Modulates Selectivity of the Open State of Human Isoforms of the Voltage Dependent Anion-Selective Channel
Figure 5
Ions free energy profile and charged residues distribution.
Chloride and potassium profiles are shown for (A) hVDAC1, (B) hVDAC2 and (C) hVDAC3 as function of the z-coordinate. The statistical error estimated over 5 independent MD replicas is ∼0.1 kcal mol−1. In the panels (D–F) the difference ΔPz between the distribution of positively and negatively charged residues facing the protein lumen is reported as function of the z-coordinate.