Binding information for 3bel_ligand_2_34.mol2(FDBF00159)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bel_ligand_2_34.mol2 | 3bel | 1 | -4.97 | O([NH2+]C)C | 4 |
Structure and binding mode of 3bel_ligand_2_34.mol2(FDBF00159)
Important binding residues for 3bel_ligand_2_34.mol2(FDBF00159)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bel | LEU718 | -0.70 | -0.27 | -0.97 | 0.18 | -0.79 |
| 3bel | VAL726 | -0.36 | 0.05 | -0.31 | -0.13 | -0.44 |
| 3bel | GLY796 | -0.32 | 0.00 | -0.32 | -0.10 | -0.42 |
| 3bel | CYS797 | -0.55 | -0.10 | -0.65 | 0.25 | -0.40 |
| 3bel | LEU844 | -0.41 | -0.02 | -0.43 | -0.06 | -0.49 |
