Binding information for 1qf0_ligand_2_25.mol2(FDBF07653)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qf0_ligand_2_25.mol2 | 1qf0 | 0.642857 | -5.86 | C(=O)NCC | 5 |
Structure and binding mode of 1qf0_ligand_2_25.mol2(FDBF07653)
Important binding residues for 1qf0_ligand_2_25.mol2(FDBF07653)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qf0 | ALA113 | -0.82 | -1.99 | -2.81 | 1.90 | -0.90 |
| 1qf0 | VAL139 | -0.34 | 0.13 | -0.21 | -0.11 | -0.33 |
| 1qf0 | GLU166 | -0.52 | 11.45 | 10.93 | -12.25 | -1.33 |
| 1qf0 | HIS231 | 0.07 | -3.57 | -3.5 | 2.51 | -0.99 |
