Binding information for 3bgl_ligand_2_30.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bgl_ligand_2_30.mol2 | 3bgl | 1 | -5.94 | C(O)(C)C | 4 |
Structure and binding mode of 3bgl_ligand_2_30.mol2(FDBF00042)
Important binding residues for 3bgl_ligand_2_30.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bgl | LYS691 | 0.40 | -6.86 | -6.46 | 2.55 | -3.92 |
| 3bgl | ASN755 | -0.48 | -1.46 | -1.94 | -0.45 | -2.39 |
| 3bgl | LEU853 | -0.59 | -0.04 | -0.63 | -0.05 | -0.68 |
