Binding information for 3fzs_ligand_3_34.mol2(FDBF04171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fzs_ligand_3_34.mol2 | 3fzs | 1 | -5.41 | C([NH+]1CCOCC1)CO | 9 |
Structure and binding mode of 3fzs_ligand_3_34.mol2(FDBF04171)
Important binding residues for 3fzs_ligand_3_34.mol2(FDBF04171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fzs | LEU431 | -1.39 | 0.40 | -0.99 | 0.10 | -0.88 |
| 3fzs | ALA455 | -0.41 | 0.87 | 0.46 | -0.95 | -0.49 |
| 3fzs | LEU504 | -0.67 | 0.96 | 0.29 | -0.98 | -0.69 |
| 3fzs | PHE568 | -1.74 | -1.63 | -3.37 | 1.39 | -1.98 |
