Binding information for 3fhe_ligand_2_15.mol2(FDBF00211)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fhe_ligand_2_15.mol2 | 3fhe | 1 | -6.84 | COc1ccccc1 | 8 |
Structure and binding mode of 3fhe_ligand_2_15.mol2(FDBF00211)
Important binding residues for 3fhe_ligand_2_15.mol2(FDBF00211)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fhe | GLN136 | -1.60 | -1.09 | -2.69 | 0.86 | -1.83 |
| 3fhe | ALA137 | -1.01 | -0.12 | -1.13 | 0.04 | -1.09 |
| 3fhe | TYR267 | -0.64 | -0.34 | -0.98 | 0.63 | -0.34 |
| 3fhe | TRP311 | -1.12 | 0.18 | -0.94 | 0.38 | -0.56 |
| 3fhe | PHE314 | -1.48 | 0.30 | -1.18 | 0.51 | -0.67 |
| 3fhe | TYR378 | -1.57 | -0.65 | -2.22 | 0.71 | -1.51 |
