Binding information for 1qtn_ligand.mol2(FDBF00137)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qtn_ligand.mol2 | 1qtn | 0.435897 | -6.33 | S1C[C@H](O)[C@@H](O)CS1 | 9 |
Structure and binding mode of 1qtn_ligand.mol2(FDBF00137)
Important binding residues for 1qtn_ligand.mol2(FDBF00137)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qtn | GLU396 | 0.37 | -13.00 | -12.63 | 11.75 | -0.88 |
| 1qtn | PHE399 | -1.46 | 0.02 | -1.44 | 0.07 | -1.37 |
| 1qtn | LEU401 | -0.90 | -0.06 | -0.96 | 0.04 | -0.93 |
| 1qtn | THR467 | -0.86 | -0.11 | -0.97 | 0.19 | -0.78 |
| 1qtn | PHE468 | -0.46 | -0.22 | -0.68 | 0.05 | -0.62 |
| 1qtn | THR469 | -0.71 | 0.38 | -0.33 | -0.15 | -0.48 |
