Binding information for 1fbm_ligand_3_19.mol2(FDBF00416)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fbm_ligand_3_19.mol2 | 1fbm | 1 | -6.22 | C(O)CC(C)C | 6 |
Structure and binding mode of 1fbm_ligand_3_19.mol2(FDBF00416)
Important binding residues for 1fbm_ligand_3_19.mol2(FDBF00416)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fbm | GLN54 | -0.44 | -0.42 | -0.86 | -0.45 | -1.30 |
| 1fbm | VAL47 | -0.40 | -0.05 | -0.45 | 0.08 | -0.37 |
| 1fbm | GLN54 | -0.23 | -0.21 | -0.44 | 0.07 | -0.37 |
| 1fbm | LEU51 | -0.96 | -0.78 | -1.74 | 0.95 | -0.80 |
| 1fbm | VAL47 | -0.44 | -0.04 | -0.48 | 0.03 | -0.44 |
| 1fbm | GLN54 | -0.22 | -2.46 | -2.68 | 1.67 | -1.01 |
