Binding information for 4nw5_ligand_4_34.mol2(FDBF02614)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nw5_ligand_4_34.mol2 | 4nw5 | 1 | -5.95 | Nc1cc(c(OC)c(OC)c1)OC | 13 |
Structure and binding mode of 4nw5_ligand_4_34.mol2(FDBF02614)
Important binding residues for 4nw5_ligand_4_34.mol2(FDBF02614)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nw5 | LEU74 | -2.36 | 0.14 | -2.22 | 0.43 | -1.80 |
| 4nw5 | PHE149 | -0.94 | -0.44 | -1.38 | 0.59 | -0.80 |
| 4nw5 | LEU150 | 0.41 | -3.15 | -2.74 | 1.81 | -0.94 |
| 4nw5 | GLY152 | -0.40 | 0.20 | -0.2 | -0.28 | -0.49 |
| 4nw5 | GLY153 | -1.36 | -1.21 | -2.57 | 1.07 | -1.50 |
| 4nw5 | LEU200 | -0.85 | 0.26 | -0.59 | -0.21 | -0.81 |
