Processive Pectin Methylesterases: The Role of Electrostatic Potential, Breathing Motions and Bond Cleavage in the Rectification of Brownian Motions
Figure 4
Correlated motions of the regions flanking the enzyme-substrate binding interface are crucial for the sliding of the polysaccharide along the binding cleft.
Porcupine plots of the Ec-PME backbone in complex with the HXM decasaccharide (oligosaccharide not shown for simplicity) in the time windows 15 ns to 30 ns (A) and 30 ns to 50 ns (B). The enzyme binding-groove is indicated by the black ellipse. The represented motions account for more than 80% of the total correlated motions of the enzyme as reported for the first 8 eigenvectors along the trace of the matrix. Arrows point in the direction of the motion with length and color representing the total displacement along the sampled window. Color bars quantify the displacement in Ångstroms.