Binding information for 1lvu_ligand_3_6.mol2(FDBF00684)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lvu_ligand_3_6.mol2 | 1lvu | 1 | -5.76 | COC(C)C | 5 |
Structure and binding mode of 1lvu_ligand_3_6.mol2(FDBF00684)
Important binding residues for 1lvu_ligand_3_6.mol2(FDBF00684)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lvu | PHE200 | -0.38 | 0.05 | -0.33 | 0.01 | -0.33 |
| 1lvu | MET219 | -0.96 | -0.07 | -1.03 | 0.27 | -0.76 |
| 1lvu | PHE1159 | -0.66 | -0.14 | -0.8 | 0.38 | -0.42 |
