Binding information for 1qf0_ligand_frag_3.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qf0_ligand_frag_3.mol2 | 1qf0 | 1 | -5.42 | C(=O)N | 3 |
Structure and binding mode of 1qf0_ligand_frag_3.mol2(FDBF00003)
Important binding residues for 1qf0_ligand_frag_3.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qf0 | ASN112 | -0.39 | -1.71 | -2.1 | 1.65 | -0.45 |
| 1qf0 | ALA113 | -0.37 | -1.84 | -2.21 | 1.74 | -0.46 |
| 1qf0 | GLU166 | -0.45 | 11.49 | 11.04 | -12.07 | -1.03 |
| 1qf0 | HIS231 | 0.03 | -3.26 | -3.23 | 2.41 | -0.82 |
