Binding information for 4v24_ligand_2_0.mol2(FDBF00381)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4v24_ligand_2_0.mol2 | 4v24 | 1 | -6.89 | O=S(=O)(c1ccccc1)C | 10 |
Structure and binding mode of 4v24_ligand_2_0.mol2(FDBF00381)
Important binding residues for 4v24_ligand_2_0.mol2(FDBF00381)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4v24 | ILE260 | -0.41 | 0.09 | -0.32 | -0.13 | -0.45 |
| 4v24 | LEU345 | -0.80 | 0.13 | -0.67 | -0.18 | -0.85 |
| 4v24 | ALA360 | -0.50 | -0.54 | -1.04 | 0.62 | -0.42 |
| 4v24 | PHE374 | -1.54 | -0.59 | -2.13 | 0.77 | -1.36 |
| 4v24 | LEU385 | -0.34 | -0.23 | -0.57 | 0.11 | -0.45 |
| 4v24 | LEU388 | -1.30 | -0.57 | -1.87 | 0.73 | -1.14 |
| 4v24 | PHE389 | -0.69 | -0.05 | -0.74 | 0.10 | -0.63 |
| 4v24 | MET392 | -1.04 | -0.21 | -1.25 | 0.27 | -0.98 |
| 4v24 | HIS397 | -0.99 | -0.10 | -1.09 | -0.32 | -1.41 |
| 4v24 | LEU405 | -1.32 | -0.31 | -1.63 | 0.06 | -1.58 |
