Binding information for 3ad7_ligand.mol2(FDBF06778)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ad7_ligand.mol2 | 3ad7 | 0.174603 | -5.79 | O=C(O)CSC | 7 |
Structure and binding mode of 3ad7_ligand.mol2(FDBF06778)
Important binding residues for 3ad7_ligand.mol2(FDBF06778)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ad7 | ILE67 | -1.10 | 0.80 | -0.3 | -1.29 | -1.58 |
| 3ad7 | ARG69 | 0.25 | -29.46 | -29.21 | 19.49 | -9.71 |
| 3ad7 | LYS358 | 1.02 | -53.84 | -52.82 | 46.40 | -6.42 |
| 3ad7 | VAL402 | -0.53 | 0.25 | -0.28 | -0.31 | -0.60 |
