Binding information for 3fzs_ligand_1_6.mol2(FDBF07342)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fzs_ligand_1_6.mol2 | 3fzs | 0.76 | -5.42 | C[NH+]1CCOCC1 | 7 |
Structure and binding mode of 3fzs_ligand_1_6.mol2(FDBF07342)
Important binding residues for 3fzs_ligand_1_6.mol2(FDBF07342)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fzs | LEU431 | -1.23 | 0.45 | -0.78 | -0.02 | -0.81 |
| 3fzs | LEU504 | -0.56 | 1.11 | 0.55 | -1.07 | -0.53 |
| 3fzs | PHE568 | -1.29 | -1.81 | -3.1 | 1.29 | -1.81 |
