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Models illustrating possible effects of mutations on the positioning of the catalytic base carboxylate group (red) in the KSI active site. (A) In WT KSI, packing interactions with Ala114 position the Asp carboxylate relative to the substrate. The cavity created by the Ala114Gly mutation allows the carboxylate to populate a single mispositioned conformation (B) or occupy multiple conformations within the active site with a subset of conformations that are mispositioned (C).
