Binding information for 1w14_ligand_3_1.mol2(FDBF02158)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w14_ligand_3_1.mol2 | 1w14 | 1 | -5.39 | CNS(=O)(=O)CC | 7 |
Structure and binding mode of 1w14_ligand_3_1.mol2(FDBF02158)
Important binding residues for 1w14_ligand_3_1.mol2(FDBF02158)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w14 | LEU97B | -0.47 | -0.46 | -0.93 | 0.60 | -0.33 |
| 1w14 | TRP215 | -0.33 | 0.15 | -0.18 | -0.24 | -0.41 |
| 1w14 | ARG217 | -1.18 | 0.76 | -0.42 | -0.17 | -0.58 |
