Binding information for 3ful_ligand_1_1.mol2(FDBF07622)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ful_ligand_1_1.mol2 | 3ful | 0.514286 | -7.03 | OCc1ccccc1 | 8 |
Structure and binding mode of 3ful_ligand_1_1.mol2(FDBF07622)
Important binding residues for 3ful_ligand_1_1.mol2(FDBF07622)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ful | GLN136 | -0.68 | -0.38 | -1.06 | 0.48 | -0.59 |
| 3ful | ALA137 | -0.62 | -0.43 | -1.05 | 0.16 | -0.89 |
| 3ful | PHE314 | -1.54 | 0.47 | -1.07 | 0.29 | -0.78 |
| 3ful | PRO374 | -0.32 | -1.25 | -1.57 | 1.01 | -0.56 |
| 3ful | ALA377 | -0.25 | 0.06 | -0.19 | -0.21 | -0.41 |
| 3ful | TYR378 | -1.24 | -0.39 | -1.63 | 0.33 | -1.31 |
