Extended Data Fig. 7: Continuum electrostatics and empirical pKa calculations for the two structures. | Nature Plants

Extended Data Fig. 7: Continuum electrostatics and empirical pKa calculations for the two structures.

From: Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H+ symporter STP10

Extended Data Fig. 7

a) pK1/2 for titratable residues in STP10 for the outward crystal structure with different dielectric constant values for the protein (4, 6 and 10). Glu162 has pK1/2 values < -4 for all three dielectric constant values. His492 has pK1/2 < -4 for a dielectric constant of 4. Predicted pKa using Propka3.0, an empirical method. See subsection Protonation states assignment in Methods for calculation details. b) pK1/2 for titratable residues in STP10 for the inward crystal structure with different dielectric constant values for the protein (4, 6 and 10). Predicted \pKa using the empirical method Propka3.0. See subsection Protonation states assignment in Methods for calculation details.

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