Binding information for 3ful_ligand_1_2.mol2(FDBF00006)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ful_ligand_1_2.mol2 | 3ful | 1 | -6.78 | c1ccc(cc1)O | 7 |
Structure and binding mode of 3ful_ligand_1_2.mol2(FDBF00006)
Important binding residues for 3ful_ligand_1_2.mol2(FDBF00006)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ful | GLN136 | -0.99 | -0.11 | -1.1 | -0.14 | -1.24 |
| 3ful | ALA137 | -0.76 | 0.18 | -0.58 | -0.08 | -0.67 |
| 3ful | TRP311 | -0.93 | 0.05 | -0.88 | 0.38 | -0.50 |
| 3ful | PHE314 | -1.11 | 0.07 | -1.04 | 0.52 | -0.52 |
| 3ful | ALA377 | -0.17 | 0.24 | 0.07 | -0.38 | -0.31 |
| 3ful | TYR378 | -1.24 | -0.42 | -1.66 | 0.43 | -1.23 |
