Binding information for 3dsu_ligand_3_155.mol2(FDBF00087)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dsu_ligand_3_155.mol2 | 3dsu | 1 | -7.08 | C(=C(C)C)CCC(C)C | 9 |
Structure and binding mode of 3dsu_ligand_3_155.mol2(FDBF00087)
Important binding residues for 3dsu_ligand_3_155.mol2(FDBF00087)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dsu | LEU99 | -0.56 | -0.01 | -0.57 | 0.03 | -0.54 |
| 3dsu | ARG144 | -1.20 | 0.12 | -1.08 | 0.20 | -0.88 |
| 3dsu | PHE147 | -0.96 | 0.10 | -0.86 | 0.46 | -0.40 |
| 3dsu | TYR195 | -1.42 | -0.05 | -1.47 | 0.71 | -0.77 |
| 3dsu | CYS314 | -0.68 | -0.03 | -0.71 | 0.23 | -0.48 |
