Processive Pectin Methylesterases: The Role of Electrostatic Potential, Breathing Motions and Bond Cleavage in the Rectification of Brownian Motions
Figure 7
Electrostatic binding energy profile of the sliding motions of HG decasaccharide in complex with Ec-PME.
Calculated electrostatic binding energy of Ec-PME in complex to the HXM decasaccharide as a function of the time (A) and movement along the binding groove of the monosaccharide residue docked in the +2 subsite (B). The circled numbers indicate different phases observable during the simulation: 0) start of the simulation; 1) end of rotation of the monosaccharide subunits docked in the subsites +1 and +2 about the glycosidic linkage, 2) stationary thermal fluctuations; 3) siting of the monosaccharide residue previously in the subsite +2 into the catalytic pocket (subsite +1) 4) continued Brownian sliding of the decasaccharide along the binding groove.
