Binding information for 4lvt_ligand_4_1785.mol2(FDBF02832)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lvt_ligand_4_1785.mol2 | 4lvt | 0.833333 | -5.28 | C([NH+]1CCOCC1)CCC | 10 |
Structure and binding mode of 4lvt_ligand_4_1785.mol2(FDBF02832)
Important binding residues for 4lvt_ligand_4_1785.mol2(FDBF02832)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lvt | TYR199 | -3.09 | -8.05 | -11.14 | 7.74 | -3.40 |
