Binding information for 3f3w_ligand_1_4.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f3w_ligand_1_4.mol2 | 3f3w | 1 | -6.43 | Nc1ccccc1 | 7 |
Structure and binding mode of 3f3w_ligand_1_4.mol2(FDBF00046)
Important binding residues for 3f3w_ligand_1_4.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f3w | VAL281 | -0.55 | 0.10 | -0.45 | -0.12 | -0.57 |
| 3f3w | ALA293 | -0.23 | 0.09 | -0.14 | -0.18 | -0.31 |
| 3f3w | VAL323 | -0.38 | 0.02 | -0.36 | -0.01 | -0.37 |
| 3f3w | MET338 | -0.98 | 0.14 | -0.84 | 0.14 | -0.69 |
| 3f3w | ALA403 | -0.31 | -0.09 | -0.4 | 0.03 | -0.38 |
| 3f3w | PHE405 | -1.39 | -0.43 | -1.82 | 0.65 | -1.18 |
