Binding information for 4dt6_ligand_1_6.mol2(FDBF01437)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dt6_ligand_1_6.mol2 | 4dt6 | 1 | -6.89 | Oc1ccc(Cl)cc1 | 8 |
Structure and binding mode of 4dt6_ligand_1_6.mol2(FDBF01437)
Important binding residues for 4dt6_ligand_1_6.mol2(FDBF01437)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dt6 | TRP46 | -0.57 | 0.01 | -0.56 | -0.00 | -0.57 |
| 4dt6 | PHE47 | -0.42 | -0.10 | -0.52 | 0.01 | -0.51 |
| 4dt6 | PHE48 | -1.11 | 0.01 | -1.1 | 0.20 | -0.91 |
| 4dt6 | LEU60 | -0.75 | -0.07 | -0.82 | 0.05 | -0.78 |
| 4dt6 | TYR91 | -0.55 | -0.05 | -0.6 | -0.01 | -0.60 |
| 4dt6 | VAL153 | -1.20 | -0.24 | -1.44 | 0.05 | -1.40 |
