Figure 3 | Scientific Reports

Figure 3

From: Docking, thermodynamics and molecular dynamics (MD) studies of a non-canonical protease inhibitor, MP-4, from Mucuna pruriens

Figure 3

Model of MP-4-trypsin complex after docking. (a) Best docked structure of MP-4 (green and yellow) with trypsin (orange and magenta). (b) For clarity only RSL of MP-4 (green) with trypsin (orange) is shown. Magenta color of trypsin shows major dominant residues of catalytic site involve in interaction in other serine proteases. MP-4 RSL (66–74) shows limited electrostatic interaction in the catalytic pocket of trypsin. Electrostatic interactions are depicted as dotted lines.

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