Binding information for 4lww_ligand_3_0.mol2(FDBF06388)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lww_ligand_3_0.mol2 | 4lww | 0.809524 | -7.71 | Cc1ccc(S(=O)(=O)c2ccccc2)cc1 | 16 |
Structure and binding mode of 4lww_ligand_3_0.mol2(FDBF06388)
Important binding residues for 4lww_ligand_3_0.mol2(FDBF06388)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lww | PHE193 | -0.48 | -0.04 | -0.52 | 0.20 | -0.32 |
| 4lww | GLY217 | -0.16 | 0.29 | 0.13 | -0.45 | -0.32 |
| 4lww | SER241 | -0.84 | 0.04 | -0.8 | -0.13 | -0.94 |
| 4lww | VAL242 | -1.92 | -0.49 | -2.41 | 0.87 | -1.54 |
| 4lww | PRO273 | -0.63 | 0.17 | -0.46 | -0.13 | -0.59 |
| 4lww | ILE309 | -1.28 | -0.43 | -1.71 | 0.24 | -1.47 |
| 4lww | ILE351 | -1.41 | -0.33 | -1.74 | 0.19 | -1.55 |
| 4lww | ALA379 | -0.59 | -0.55 | -1.14 | 0.28 | -0.86 |
| 4lww | TYR18 | -0.49 | 0.15 | -0.34 | -0.14 | -0.49 |
