Binding information for 1xoq_ligand_1_3.mol2(FDBF05121)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xoq_ligand_1_3.mol2 | 1xoq | 0.555556 | -5.48 | C(F)(F)O | 4 |
Structure and binding mode of 1xoq_ligand_1_3.mol2(FDBF05121)
Important binding residues for 1xoq_ligand_1_3.mol2(FDBF05121)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xoq | TRP332 | -0.46 | 0.08 | -0.38 | -0.23 | -0.61 |
| 1xoq | THR333 | -0.76 | -1.11 | -1.87 | 0.10 | -1.77 |
| 1xoq | ILE336 | -0.21 | -0.09 | -0.3 | -0.19 | -0.49 |
| 1xoq | GLN369 | -0.63 | -2.04 | -2.67 | 1.00 | -1.68 |
| 1xoq | PHE372 | -0.44 | -0.09 | -0.53 | 0.15 | -0.38 |
