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Binding of the general anesthetic sevoflurane to ion channels

Fig 2

C and O state-dependent binding probabilities for different concentrations of sevoflurane at the reservoir.

(A) Marginal probabilities ρ_X(n_j) of site j, for n_j = 0 (gray), n_j = 1 (blue) and n_j = 2(cyan). Marginals at the extracellular face of the channel are negligible for every structure/concentration. (B) Probabilities ρ_X(n) for macrostates mapping an ensemble of accessible states in which n ligands bind the receptor regardless their specific distributions over the binding sites. Here, ρ_X(n_j) and ρ_X(n) were computed by coarse-graining over state probabilities in S4 Fig (cf. Computational Methods for details). Average number ⟨n_X⟩ of bound ligands as a function of the reservoir concentration is indicated in (B).

doi: https://doi.org/10.1371/journal.pcbi.1006605.g002