Binding information for 3ftz_ligand_frag_0.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftz_ligand_frag_0.mol2 | 3ftz | 1 | -6.74 | Nc1ccccc1 | 7 |
Structure and binding mode of 3ftz_ligand_frag_0.mol2(FDBF00046)
Important binding residues for 3ftz_ligand_frag_0.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ftz | VAL367 | -0.63 | -0.06 | -0.69 | 0.01 | -0.68 |
| 3ftz | LEU369 | -0.77 | 0.03 | -0.74 | -0.00 | -0.75 |
| 3ftz | PRO374 | 0.64 | -2.46 | -1.82 | 0.91 | -0.91 |
| 3ftz | TYR378 | -0.56 | -0.78 | -1.34 | 0.66 | -0.68 |
| 3ftz | PRO382 | -0.62 | -0.34 | -0.96 | 0.29 | -0.67 |
