Binding information for 4w55_ligand.mol2(FDBF00193)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4w55_ligand.mol2 | 4w55 | 1 | -7.78 | CCCc1ccccc1 | 10 |
Structure and binding mode of 4w55_ligand.mol2(FDBF00193)
Important binding residues for 4w55_ligand.mol2(FDBF00193)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4w55 | ILE78 | -0.72 | 0.05 | -0.67 | -0.03 | -0.70 |
| 4w55 | LEU84 | -1.48 | -0.22 | -1.7 | 0.18 | -1.52 |
| 4w55 | VAL87 | -0.97 | 0.17 | -0.8 | -0.24 | -1.03 |
| 4w55 | LEU91 | -0.44 | 0.05 | -0.39 | 0.07 | -0.33 |
| 4w55 | ALA99 | -1.14 | -0.61 | -1.75 | 0.27 | -1.48 |
| 4w55 | MET102 | -0.86 | -0.04 | -0.9 | 0.14 | -0.76 |
| 4w55 | VAL103 | -0.44 | -0.00 | -0.44 | -0.04 | -0.48 |
| 4w55 | PHE114 | -0.71 | 0.01 | -0.7 | 0.14 | -0.57 |
| 4w55 | LEU118 | -1.00 | -0.08 | -1.08 | 0.12 | -0.95 |
| 4w55 | LEU121 | -0.72 | 0.02 | -0.7 | 0.00 | -0.70 |
| 4w55 | PHE153 | -0.77 | -0.13 | -0.9 | 0.40 | -0.51 |
