Binding information for 4tv3_ligand_3_19.mol2(FDBF00454)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tv3_ligand_3_19.mol2 | 4tv3 | 0.827586 | -5.77 | C(O)COC1CCCCC1 | 10 |
Structure and binding mode of 4tv3_ligand_3_19.mol2(FDBF00454)
Important binding residues for 4tv3_ligand_3_19.mol2(FDBF00454)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tv3 | THR856 | -0.65 | 0.42 | -0.23 | -0.23 | -0.46 |
| 4tv3 | GLN859 | -0.96 | -0.65 | -1.61 | 0.99 | -0.62 |
| 4tv3 | MET922 | -0.69 | -0.11 | -0.8 | 0.18 | -0.62 |
| 4tv3 | ILE932 | -0.40 | 0.07 | -0.33 | -0.18 | -0.51 |
