Table 2.
Binding site residues interacting with the top eight inhibitors. The number of ligands interacting with the different binding site residues via hydrogen bonds exclusively or via any kind of interactions (including hydrogen bonds) is listed.
| Number of ligands involved | Hydrogen bonds | All interactions |
|---|---|---|
| 1 | H41, C145, E166, V186 | L27, S46, L50, Y54,L167, T169, V186 |
| 2 | L141, N142, G143,H164, Q189, T190 | T25, F140, L141,H172, A191 |
| 3 | R188, Q192 | T26, H163, Q192 |
| 4 | S144 | M49, S144, P168, T190 |
| 5 | — | N142,D187 |
| 6 | — | G143, H164 |
| 7 | — | H41, E166 |
| 8 | — | C145, M165, R188, Q189 |