Binding information for 1q4x_ligand_1_1.mol2(FDBF00415)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1q4x_ligand_1_1.mol2 | 1q4x | 1 | -6.72 | c1(ccccc1O)C | 8 |
Structure and binding mode of 1q4x_ligand_1_1.mol2(FDBF00415)
Important binding residues for 1q4x_ligand_1_1.mol2(FDBF00415)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1q4x | PHE272 | -0.59 | 0.09 | -0.5 | -0.16 | -0.66 |
| 1q4x | ILE276 | -0.75 | -0.03 | -0.78 | -0.15 | -0.93 |
| 1q4x | MET310 | -0.74 | -0.16 | -0.9 | 0.38 | -0.52 |
| 1q4x | LEU346 | -1.28 | -0.09 | -1.37 | -0.19 | -1.57 |
| 1q4x | HIS435 | 0.30 | -3.41 | -3.11 | 2.19 | -0.92 |
