Computational Modeling of T Cell Hypersensitivity during Coronavirus Infections Leading to Autoimmunity and Lethality

Figure 3

Closed-state SARS-CoV-2 (PDB ID: 6VXX) docked in the receptor CD147 (PDB ID: 3B5H) with crystallographic water molecules: (a) the best binding mode in the receptor, (b) in the mode number 2 along with side chains as lines, and (c) the best twenty binding modes showing amino acid residues involved in the interactions at 5 Å distance (receptor in cyan, ligand as dark blue sticks, Lys63 and Asp65 residues in magenta, and interactions as yellow dashes).

(a)

(b)

(c)