Figure 5.

Comparison of the conformational change at the protein–protein interface in CoV^ox···ACE2^ox (left) and CoV^red···ACE2^red (right). CoV and ACE2 subunits in the complex are shown in blue and red colors, respectively, at the center. The structural motif containing the two helices of ACE2 and a β sheet of the CoV (or CoV-2) was monitored before (top) and after (bottom) 20 ns MD simulation. The left and right panels show the difference in conformational changes in the oxidized form (CoV^ox···ACE2^ox) and reduced form (CoV^red···ACE2^red), respectively.