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Induced Effects of Sodium Ions on Dopaminergic G-Protein Coupled Receptors

Figure 4

Mechanism of the sodium-induced effect on the rotamer switch (Trp 6.48).

Sodium-induced effect is mediated by cation-Π interaction of the hydrated positively charged sodium ion and the negative charges of the Trp6.48 ring. The sodium ion, water molecules as well as the Trp6.48 are colored according to their partial charges (blue: positive, red: negative). Transition of a sodium ion from Asp3.32 (site a/b, χ2 = 0) to Asp2.50 (site c, χ2 = 100) induces a conformational change of Trp6.48 due to electrostatic interactions between the hydrated positively charged sodium ion and the negative charges of the indole ring of Trp6.48.

Figure 4

doi: https://doi.org/10.1371/journal.pcbi.1000884.g004