S. No. | Compound name | binding energy ΔG (kcal/mol) | Residues involved |
---|---|---|---|
1 | n-Octadecanyl-O-α-D-glucopyranosyl(6′ → 1″)-O-α-D-glucopyranoside. | −5.58 | ASN755, ASP765, LYS691, GLU559, GLY560, ALA525, ARG590 |
2 | Pravastatin | −6.25 | SER684, LYS735, ARG590, ASP690, GLU560, ASN658 |