Binding information for 1qf0_ligand_1_3.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qf0_ligand_1_3.mol2 | 1qf0 | 1 | -5.53 | C(=O)NC | 4 |
Structure and binding mode of 1qf0_ligand_1_3.mol2(FDBF00024)
Important binding residues for 1qf0_ligand_1_3.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qf0 | ALA113 | -0.53 | -2.02 | -2.55 | 1.88 | -0.67 |
| 1qf0 | HIS142 | -0.83 | -2.12 | -2.95 | 2.60 | -0.36 |
| 1qf0 | GLU166 | -0.51 | 11.58 | 11.07 | -12.18 | -1.10 |
| 1qf0 | HIS231 | 0.07 | -3.59 | -3.52 | 2.50 | -1.02 |
