Binding information for 1q4x_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1q4x_ligand_frag_0.mol2 | 1q4x | 1 | -6.80 | c1ccccc1 | 6 |
Structure and binding mode of 1q4x_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 1q4x_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1q4x | PHE269 | -1.34 | -0.54 | -1.88 | 0.59 | -1.29 |
| 1q4x | ILE276 | -0.81 | -0.10 | -0.91 | -0.00 | -0.92 |
| 1q4x | PHE455 | -0.94 | -0.09 | -1.03 | 0.41 | -0.62 |
