Binding information for 1qpl_ligand_1_5.mol2(FDBF00747)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qpl_ligand_1_5.mol2 | 1qpl | 0.653846 | -5.44 | C1CC(CCC1)OC | 8 |
Structure and binding mode of 1qpl_ligand_1_5.mol2(FDBF00747)
Important binding residues for 1qpl_ligand_1_5.mol2(FDBF00747)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qpl | ILE56 | -0.65 | 0.09 | -0.56 | -0.10 | -0.66 |
| 1qpl | TYR82 | -1.16 | -0.13 | -1.29 | 0.53 | -0.77 |
