FIGURE 2.
A, binding of InsP6 to PhyAsrC252S InsP6 binds deep in the highly basic binding pocket. The C5, C6, and C1 phosphates furthest from the scissile phosphoester bond are exposed to bulk solvent. The electrostatic surface potential was calculated using the APBS plugin in PyMOL (24). Positively and negatively charged regions are colored blue and red, respectively. B, schematic is two-dimensional representation of the contacts (dashed lines) between PhyAsrC252S and each of the InsP6 phosphates. C, divergent stereo view of the interactions between InsP6 and PhyAsrC252S highlights the different phosphoryl group binding sites. The binding sites are labeled Ps, Pa, Pa′, Pb, Pb′, and Pc to facilitate discussion of the different ligand binding modes identified in this work.