Processive Pectin Methylesterases: The Role of Electrostatic Potential, Breathing Motions and Bond Cleavage in the Rectification of Brownian Motions
Figure 8
Time-evolution of the electrostatic profile for Ec-PME.
The Ec-PME surface is colored by the calculated electrostatic potential of the protein in complex to the HXM decasaccharide (shown in ball-and-stick representation). The figures represent the conformations of protein and oligosaccharide before and after the catalysis, when rotation of monosaccharide subunits around the glycosidic bond and sliding of the oligosaccharide along the binding groove occur. Patches of positive electrostatic potential patches on the protein surface are represented in blue, negative patches are reported in red and neutral patches are in white. The surface is colored between −3 kbT (red) and +3 kbT (blue). The monosaccharide residue docked, at the start of the simulation, in subsite +2 is circled in yellow.
