Binding information for 2vio_ligand_1_0.mol2(FDBF00040)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vio_ligand_1_0.mol2 | 2vio | 1 | -5.78 | [NH3+]CC | 3 |
Structure and binding mode of 2vio_ligand_1_0.mol2(FDBF00040)
Important binding residues for 2vio_ligand_1_0.mol2(FDBF00040)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vio | ILE17 | -0.04 | -16.30 | -16.34 | 16.03 | -0.31 |
| 2vio | ASP189 | 1.24 | -49.82 | -48.58 | 42.72 | -5.86 |
| 2vio | SER190 | 0.91 | -14.04 | -13.13 | 7.54 | -5.59 |
| 2vio | CYS191 | -0.51 | 0.05 | -0.46 | 0.06 | -0.40 |
| 2vio | ASP194 | -0.04 | -19.13 | -19.17 | 18.74 | -0.43 |
| 2vio | ARG217 | -0.26 | -9.67 | -9.93 | 8.78 | -1.16 |
| 2vio | GLY219 | 0.05 | 22.77 | 22.82 | -23.82 | -1.00 |
| 2vio | LEU222 | -0.04 | -18.64 | -18.68 | 18.34 | -0.34 |
