Figure 1.

The Analyses in the Binding of the Viral Spike Proteins and DPP4 or ACE2

(A) Free energy for the binding between each of three CoV spike (S) proteins and DPP4 or ACE2. Note that all the complexes were downloaded or predicted through ZDOCK based on protein crystal structures.

(B) The structure of predicted interaction complex of SARS-CoV-2-S RBD (yellow) and DPP4 (wheat). The detailed binding interface is magnified separately as indicated.

(C) The structural model of SARS-CoV-2-S RBD bound with DPP4 is superimposed with the crystal structure of MERS-CoV-S RBD. The contact residues of DPP4 (wheat) bound with either MERS-CoV-S RBD (light blue) or SARS-CoV-2-S RBD (yellow) are displayed in the right two panels.