Table 7.
Distance and energy between PU1, PU2, and PU3 with 5fsa receptor
| Product | Ligand | Receptor | Interaction | Distance | E (kcal/mol) |
|---|---|---|---|---|---|
| PU1 | - | - | - | - | - |
| PU2 | N 71 | O SER 378 (A) | H-donor | 3.29 | −2.1 |
| PU3 | S 42 | O SER 378 (A) | H-donor | 3.68 | −0.5 |
| N 43 | SD MET 508 (A) | H-donor | 4.07 | −2.7 | |
| 5-ring | CD1 LEU 376 (A) | pi-H | 3.86 | −1.0 |