Binding information for 1f0t_ligand_1_1.mol2(FDBF02735)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1f0t_ligand_1_1.mol2 | 1f0t | 1 | -5.37 | CN1CCCC1=O | 7 |
Structure and binding mode of 1f0t_ligand_1_1.mol2(FDBF02735)
Important binding residues for 1f0t_ligand_1_1.mol2(FDBF02735)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1f0t | TRP215 | -0.70 | 0.31 | -0.39 | -0.24 | -0.63 |
| 1f0t | SER217 | -0.79 | 4.56 | 3.77 | -4.90 | -1.13 |
| 1f0t | CYS220 | -0.30 | 0.38 | 0.08 | -0.50 | -0.42 |
