Binding information for 4f9v_ligand_2_7.mol2(FDBF01459)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4f9v_ligand_2_7.mol2 | 4f9v | 0.727273 | -6.11 | C(C)[n+]1cc[nH]c1 | 7 |
Structure and binding mode of 4f9v_ligand_2_7.mol2(FDBF01459)
Important binding residues for 4f9v_ligand_2_7.mol2(FDBF01459)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4f9v | ASP131 | -0.55 | 6.97 | 6.42 | -10.08 | -3.66 |
| 4f9v | GLU171 | -0.85 | 5.41 | 4.56 | -7.86 | -3.29 |
| 4f9v | TRP176 | -1.40 | -1.50 | -2.9 | 1.85 | -1.06 |
| 4f9v | LEU219 | -0.62 | 0.16 | -0.46 | -0.09 | -0.55 |
| 4f9v | VAL270 | -0.41 | 0.18 | -0.23 | -0.32 | -0.56 |
| 4f9v | PHE292 | -0.56 | 0.03 | -0.53 | 0.13 | -0.40 |
| 4f9v | TRP296 | -1.33 | -2.73 | -4.06 | 3.08 | -0.99 |
