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. 2022 Jul 27;8(2):veac063. doi: 10.1093/ve/veac063

Figure 3.

Figure 3.

Modeling RBD changes. RBD substitutions for MA viruses were modeled using PyMOL (PDB: 7DF4) to visualize their potential effects on mACE2 binding. (A) Interactions between SARS-CoV-2QLD02 RBD and mACE2 are predicted between Q493 and N31/Q34, N501, and H353, and Q498 and Y41 (dashed lines/pale turquoise ovals). These interactions are insufficient to support replication and are largely retained for MA viruses and mACE2. (B) MA1 has additional predicted interactions between H498 and Y41 (magenta oval). (C–F) MA2-5 have additional predicted interactions between K/R493 and N31/Q34 (C–F, magenta ovals). Green = ACE2. Yellow = hACE2 residues changed to mACE2. Blue = SARS-CoV-2 spike RBD. Black-dotted interactions represent hydrogen bonds, and yellow-dotted lines represent any interactions within 3.5 Å.