Binding information for 4w4s_ligand_1_1.mol2(FDBF04961)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4w4s_ligand_1_1.mol2 | 4w4s | 0.884615 | -6.55 | c1cc(ccc1)CCO | 9 |
Structure and binding mode of 4w4s_ligand_1_1.mol2(FDBF04961)
Important binding residues for 4w4s_ligand_1_1.mol2(FDBF04961)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4w4s | LEU71 | -0.98 | 0.14 | -0.84 | 0.03 | -0.82 |
| 4w4s | SER165 | -0.62 | -1.89 | -2.51 | 1.60 | -0.91 |
| 4w4s | ALA167 | -0.44 | -0.10 | -0.54 | 0.19 | -0.35 |
