Binding information for 1w0z_ligand_3_116.mol2(FDBF02158)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w0z_ligand_3_116.mol2 | 1w0z | 1 | -5.36 | C(C)S(=O)(=O)NC | 7 |
Structure and binding mode of 1w0z_ligand_3_116.mol2(FDBF02158)
Important binding residues for 1w0z_ligand_3_116.mol2(FDBF02158)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w0z | LEU97B | -0.52 | -0.52 | -1.04 | 0.64 | -0.40 |
| 1w0z | TRP215 | -0.34 | 0.16 | -0.18 | -0.20 | -0.39 |
| 1w0z | ARG217 | -1.38 | 0.70 | -0.68 | -0.65 | -1.33 |
| 1w0z | CYS220 | -0.19 | 0.00 | -0.19 | -0.26 | -0.45 |
