Binding information for 4l50_ligand_1_5.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l50_ligand_1_5.mol2 | 4l50 | 1 | -6.36 | C(C)(C)C | 4 |
Structure and binding mode of 4l50_ligand_1_5.mol2(FDBF00007)
Important binding residues for 4l50_ligand_1_5.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l50 | ILE221 | -0.81 | 0.01 | -0.8 | -0.01 | -0.81 |
| 4l50 | TYR226 | -0.79 | 0.01 | -0.78 | 0.24 | -0.55 |
| 4l50 | GLY246 | -0.60 | 0.01 | -0.59 | 0.06 | -0.53 |
