Binding information for 3ftz_ligand_2_0.mol2(FDBF00571)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftz_ligand_2_0.mol2 | 3ftz | 1 | -6.79 | O(c1c(N)cccc1)C | 9 |
Structure and binding mode of 3ftz_ligand_2_0.mol2(FDBF00571)
Important binding residues for 3ftz_ligand_2_0.mol2(FDBF00571)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ftz | VAL367 | -0.66 | -0.00 | -0.66 | -0.03 | -0.69 |
| 3ftz | LEU369 | -0.98 | -0.07 | -1.05 | 0.12 | -0.92 |
| 3ftz | TYR378 | -0.35 | -0.83 | -1.18 | 0.78 | -0.39 |
| 3ftz | PRO382 | -0.65 | -0.33 | -0.98 | 0.27 | -0.71 |
