Binding information for 1qf1_ligand_1_5.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qf1_ligand_1_5.mol2 | 1qf1 | 1 | -5.57 | C(=O)NC | 4 |
Structure and binding mode of 1qf1_ligand_1_5.mol2(FDBF00024)
Important binding residues for 1qf1_ligand_1_5.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qf1 | ALA113 | -0.20 | -2.84 | -3.04 | 2.17 | -0.88 |
| 1qf1 | HIS142 | -0.82 | -1.92 | -2.74 | 2.39 | -0.35 |
| 1qf1 | GLU166 | -0.52 | 11.28 | 10.76 | -12.08 | -1.32 |
| 1qf1 | HIS231 | 0.12 | -3.92 | -3.8 | 2.60 | -1.19 |
