Binding information for 2viy_ligand_4_286.mol2(FDBF02378)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viy_ligand_4_286.mol2 | 2viy | 1 | -6.45 | C[C@@H](O)[C@H](C)NC=O | 8 |
Structure and binding mode of 2viy_ligand_4_286.mol2(FDBF02378)
Important binding residues for 2viy_ligand_4_286.mol2(FDBF02378)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viy | GLY95 | -0.67 | 1.36 | 0.69 | -1.52 | -0.83 |
| 2viy | SER96 | -0.48 | 0.36 | -0.12 | -0.35 | -0.47 |
| 2viy | TYR132 | -1.67 | -1.99 | -3.66 | 1.83 | -1.83 |
| 2viy | THR133 | -0.85 | -1.95 | -2.8 | 1.33 | -1.47 |
| 2viy | GLN134 | -0.67 | -2.31 | -2.98 | 1.35 | -1.63 |
| 2viy | ILE179 | -0.39 | 0.19 | -0.2 | -0.29 | -0.49 |
| 2viy | GLY291 | -0.75 | -2.34 | -3.09 | 1.57 | -1.52 |
| 2viy | THR292 | -1.02 | -0.01 | -1.03 | 0.52 | -0.52 |
