Binding information for 4oho_ligand_1_4.mol2(FDBF06936)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oho_ligand_1_4.mol2 | 4oho | 0.277778 | -5.61 | [S@@](O)(N)C(F)(F)F | 7 |
Structure and binding mode of 4oho_ligand_1_4.mol2(FDBF06936)
Important binding residues for 4oho_ligand_1_4.mol2(FDBF06936)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oho | GLU25 | -0.14 | -39.31 | -39.45 | 38.75 | -0.70 |
| 4oho | PRO29 | -0.04 | -2.24 | -2.28 | 1.97 | -0.31 |
| 4oho | GLU32 | -0.48 | -25.89 | -26.37 | 25.71 | -0.66 |
| 4oho | SER34 | -0.45 | 0.89 | 0.44 | -0.75 | -0.31 |
| 4oho | MET522 | -0.49 | -0.36 | -0.85 | 0.27 | -0.58 |
| 4oho | ARG525 | -1.52 | 28.98 | 27.46 | -28.31 | -0.84 |
