Binding information for 1fl3_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fl3_ligand_frag_0.mol2 | 1fl3 | 1 | -6.92 | c1ccccc1 | 6 |
Structure and binding mode of 1fl3_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 1fl3_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fl3 | VAL39 | -0.43 | -0.13 | -0.56 | -0.01 | -0.57 |
| 1fl3 | LEU47 | -0.68 | -0.73 | -1.41 | 0.70 | -0.71 |
| 1fl3 | TYR96 | -0.80 | -0.17 | -0.97 | 0.31 | -0.66 |
| 1fl3 | TRP106 | -2.38 | 0.99 | -1.39 | 0.77 | -0.62 |
| 1fl3 | TYR41 | -0.88 | -0.07 | -0.95 | 0.51 | -0.45 |
