Table 3 Interaction between wild-type and mutant SARS-CoV-2 papain-like viral protease with GRL0617
From: Novel mutations in NSP-1 and PLPro of SARS-CoV-2 NIB-1 genome mount for effective therapeutics
Receptor | Binding affinity score (kcal/mol) | Participating amino acids in interaction |
|---|---|---|
 Wild type | − 6.6 | ASP164, ARG166, GLU167, SER170, PRO248, TYR264 |
 V843F | − 6.7 | ASP76, ARG82, CYS155, TYR171 |
 A889V | − 6.9 | ASP76, ARG82, CYS155, TYR171 |
 V843F + A889V | − 6.2 | ASP76, ARG82, THR75, PRO77 |