Binding information for 4v24_ligand_1_3.mol2(FDBF02914)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4v24_ligand_1_3.mol2 | 4v24 | 1 | -6.85 | c1cc(cc(c1)O)C | 8 |
Structure and binding mode of 4v24_ligand_1_3.mol2(FDBF02914)
Important binding residues for 4v24_ligand_1_3.mol2(FDBF02914)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4v24 | PHE259 | -0.83 | -0.35 | -1.18 | 0.60 | -0.58 |
| 4v24 | ILE260 | -0.74 | -0.23 | -0.97 | 0.11 | -0.86 |
| 4v24 | THR282 | -0.66 | -0.62 | -1.28 | 0.65 | -0.62 |
| 4v24 | LEU345 | -0.34 | -0.07 | -0.41 | -0.02 | -0.42 |
| 4v24 | LEU385 | -1.10 | -0.01 | -1.11 | 0.27 | -0.85 |
| 4v24 | LEU388 | -0.48 | 0.14 | -0.34 | -0.27 | -0.61 |
| 4v24 | PHE389 | -1.99 | -0.41 | -2.4 | 0.19 | -2.21 |
| 4v24 | MET392 | -0.77 | -0.27 | -1.04 | 0.14 | -0.90 |
