Binding information for 1pq6_ligand_1_11.mol2(FDBF00023)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pq6_ligand_1_11.mol2 | 1pq6 | 1 | -7.11 | Cc1ccccc1 | 7 |
Structure and binding mode of 1pq6_ligand_1_11.mol2(FDBF00023)
Important binding residues for 1pq6_ligand_1_11.mol2(FDBF00023)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pq6 | THR316 | -0.40 | -0.11 | -0.51 | 0.13 | -0.39 |
| 1pq6 | ILE327 | -0.47 | 0.05 | -0.42 | -0.01 | -0.44 |
| 1pq6 | PHE340 | -2.18 | 0.61 | -1.57 | 0.27 | -1.30 |
| 1pq6 | LEU345 | -0.46 | 0.06 | -0.4 | 0.02 | -0.38 |
| 1pq6 | ILE350 | -0.54 | 0.06 | -0.48 | 0.06 | -0.41 |
| 1pq6 | ILE353 | -1.28 | -0.22 | -1.5 | -0.08 | -1.58 |
| 1pq6 | PHE354 | -0.70 | -0.08 | -0.78 | 0.31 | -0.47 |
