Computational Biologist. Postdoc Emeritus. Senior Scientist at @Schrodinger. Opinions are my own. He/Him/His
Nov 6, 2020 • 7 tweets • 3 min read
We drew a couple of figures to illustrate our thoughts about mutation Y453F. We used our models of the "canonical" SARS-CoV-2 RBD bound to human and ferret ACE2 as a base, and use ferret ACE2 because it is virtually identical to European mink in this region of the protein.
In all figures, we show only 3 amino acids important to understand this mutation: ACE2 position 34 (white) and RBD positions 453 (orange) and 455 (pink). Some special atoms of each amino acid are colored red (oxygen) or blue (nitrogen) when necessary.
Nov 5, 2020 • 8 tweets • 3 min read
1/ One of the mutations reported in the new variant of SARS-CoV-2 found in minks in Denmark - Y453F - sits right in the middle of the interface with the ACE2 receptor, interacting with H34, a residue we and others marked as an important "hotspot" for the interaction.
2/ Unfortunately, we only have a partial sequence of ACE2 for the American mink (Neovison vison), which is the species that is bred for its fur, according to Wikipedia. But if we look at its European cousin (Mustela lutreola), we find interesting mutations in their ACE2 variant:
