Binding information for 4lvt_ligand_3_166.mol2(FDBF02583)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lvt_ligand_3_166.mol2 | 4lvt | 0.815789 | -5.59 | c1cccc(c1NC)[S](O)O | 11 |
Structure and binding mode of 4lvt_ligand_3_166.mol2(FDBF02583)
Important binding residues for 4lvt_ligand_3_166.mol2(FDBF02583)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lvt | ALA97 | -0.42 | 0.88 | 0.46 | -0.81 | -0.34 |
| 4lvt | GLY142 | -0.62 | -0.27 | -0.89 | -0.52 | -1.41 |
| 4lvt | VAL145 | -0.56 | 1.51 | 0.95 | -1.75 | -0.80 |
| 4lvt | PHE195 | -0.54 | -1.41 | -1.95 | 1.47 | -0.48 |
