Binding information for 3d78_ligand_1_1.mol2(FDBF00576)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3d78_ligand_1_1.mol2 | 3d78 | 1 | -5.44 | O[S](O)NC | 5 |
Structure and binding mode of 3d78_ligand_1_1.mol2(FDBF00576)
Important binding residues for 3d78_ligand_1_1.mol2(FDBF00576)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3d78 | MET49 | -0.84 | -4.75 | -5.59 | 3.71 | -1.87 |
| 3d78 | LEU53 | -0.77 | 0.91 | 0.14 | -0.95 | -0.80 |
| 3d78 | ILE119 | -0.66 | -24.15 | -24.81 | 24.35 | -0.46 |
