Binding information for 3dsu_ligand_2_49.mol2(FDBF00123)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dsu_ligand_2_49.mol2 | 3dsu | 1 | -6.54 | C(=C(C)C)CC | 6 |
Structure and binding mode of 3dsu_ligand_2_49.mol2(FDBF00123)
Important binding residues for 3dsu_ligand_2_49.mol2(FDBF00123)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dsu | LEU99 | -0.50 | -0.04 | -0.54 | 0.07 | -0.47 |
| 3dsu | PHE147 | -0.81 | 0.04 | -0.77 | 0.45 | -0.32 |
| 3dsu | TYR195 | -1.14 | -0.08 | -1.22 | 0.65 | -0.57 |
| 3dsu | CYS314 | -0.67 | -0.03 | -0.7 | 0.21 | -0.49 |
