Binding information for 4lvt_ligand_1_15.mol2(FDBF06936)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lvt_ligand_1_15.mol2 | 4lvt | 0.333333 | -5.56 | C(F)(F)(F)[S](O)O | 7 |
Structure and binding mode of 4lvt_ligand_1_15.mol2(FDBF06936)
Important binding residues for 4lvt_ligand_1_15.mol2(FDBF06936)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lvt | ALA97 | -0.38 | -0.11 | -0.49 | 0.11 | -0.37 |
| 4lvt | TRP141 | -1.08 | 0.01 | -1.07 | 0.74 | -0.32 |
| 4lvt | GLY142 | -0.50 | -0.10 | -0.6 | -0.35 | -0.95 |
| 4lvt | PHE195 | -0.61 | -1.63 | -2.24 | 1.57 | -0.68 |
| 4lvt | TYR199 | -0.80 | 1.28 | 0.48 | -1.47 | -0.99 |
