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The V119I mutation distorts the active site. Helix α8 is more mobile in 119I PIMT, opening up both the SAM- and isoaspartate-binding sites. Structures from the final ns of three independent simulations of 119V and 119I PIMT are shown in surface representation, with the isoaspartate- and SAM-binding sites, and α8 colored in red, blue and green, respectively. A color version of this figure is available as supplementary data at PEDS online.
