Binding information for 2fxu_ligand_1_16.mol2(FDBF00237)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fxu_ligand_1_16.mol2 | 2fxu | 0.555556 | -5.56 | [C@H](O)(C)C(=C)C | 6 |
Structure and binding mode of 2fxu_ligand_1_16.mol2(FDBF00237)
Important binding residues for 2fxu_ligand_1_16.mol2(FDBF00237)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fxu | TYR143 | -1.19 | -0.18 | -1.37 | 0.60 | -0.77 |
| 2fxu | GLY146 | -0.90 | 0.42 | -0.48 | -0.30 | -0.78 |
| 2fxu | THR148 | -0.65 | -0.02 | -0.67 | 0.04 | -0.62 |
