Binding information for 3bgl_ligand_3_15.mol2(FDBF02411)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bgl_ligand_3_15.mol2 | 3bgl | 1 | -5.70 | C([NH+]1CCCC1)CCO | 9 |
Structure and binding mode of 3bgl_ligand_3_15.mol2(FDBF02411)
Important binding residues for 3bgl_ligand_3_15.mol2(FDBF02411)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bgl | LYS691 | 0.69 | -5.38 | -4.69 | 1.31 | -3.38 |
| 3bgl | ASN755 | -0.38 | -1.22 | -1.6 | -0.60 | -2.21 |
| 3bgl | LEU853 | -1.36 | 0.05 | -1.31 | -0.17 | -1.48 |
