Binding information for 4lww_ligand_2_0.mol2(FDBF02585)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lww_ligand_2_0.mol2 | 4lww | 0.651163 | -7.41 | S(=O)(=O)(c1ccccc1)c1ccccc1 | 15 |
Structure and binding mode of 4lww_ligand_2_0.mol2(FDBF02585)
Important binding residues for 4lww_ligand_2_0.mol2(FDBF02585)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lww | SER241 | -0.65 | -0.02 | -0.67 | -0.07 | -0.73 |
| 4lww | VAL242 | -2.16 | -0.33 | -2.49 | 0.37 | -2.13 |
| 4lww | PRO273 | -0.62 | 0.19 | -0.43 | -0.15 | -0.59 |
| 4lww | ILE309 | -1.27 | -0.42 | -1.69 | 0.24 | -1.45 |
| 4lww | ILE351 | -1.38 | -0.32 | -1.7 | 0.18 | -1.52 |
| 4lww | ALA379 | -0.59 | -0.54 | -1.13 | 0.28 | -0.85 |
