Binding information for 4f9v_ligand_1_3.mol2(FDBF00490)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4f9v_ligand_1_3.mol2 | 4f9v | 1 | -5.82 | C[n+]1cc[nH]c1 | 6 |
Structure and binding mode of 4f9v_ligand_1_3.mol2(FDBF00490)
Important binding residues for 4f9v_ligand_1_3.mol2(FDBF00490)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4f9v | ASP131 | -0.54 | 6.81 | 6.27 | -9.96 | -3.69 |
| 4f9v | GLU171 | -0.83 | 5.27 | 4.44 | -7.74 | -3.30 |
| 4f9v | TRP176 | -1.21 | -1.51 | -2.72 | 1.78 | -0.94 |
| 4f9v | LEU219 | -0.59 | 0.16 | -0.43 | -0.10 | -0.53 |
| 4f9v | TRP296 | -1.13 | -2.68 | -3.81 | 2.96 | -0.86 |
