Binding information for 3fui_ligand_frag_6.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fui_ligand_frag_6.mol2 | 3fui | 1 | -6.80 | c1ccccc1 | 6 |
Structure and binding mode of 3fui_ligand_frag_6.mol2(FDBF00005)
Important binding residues for 3fui_ligand_frag_6.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fui | PHE314 | -1.23 | -0.24 | -1.47 | 0.06 | -1.40 |
| 3fui | VAL367 | -0.79 | -0.09 | -0.88 | 0.07 | -0.81 |
| 3fui | LEU369 | -0.54 | 0.10 | -0.44 | -0.05 | -0.49 |
| 3fui | ALA377 | -0.74 | -0.30 | -1.04 | 0.41 | -0.63 |
| 3fui | PRO382 | -0.83 | -0.17 | -1 | 0.17 | -0.83 |
