Protein-Protein Docking with Dynamic Residue Protonation States
Figure 7
pH-dependent binding effects in Fc–FcRn complex.
(A) Interface score of the top pHDock prediction for the Fc–FcRn complex as a function of the docking pH. (B) Interface score vs Irmsd plots generated using pHDock at pH 6.25 and pH 7.50. (C) Top pHDock models at pH 6.25 (cyan) and pH 7.50 (green) showing the three critical ionic interactions responsible for the large pH-dependent binding affinity change. Note the change in the protonation states of His-435 and His-436.