Binding information for 1fbm_ligand_4_14.mol2(FDBF01785)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fbm_ligand_4_14.mol2 | 1fbm | 1 | -6.40 | C(O)C[C@@H](C)CC | 7 |
Structure and binding mode of 1fbm_ligand_4_14.mol2(FDBF01785)
Important binding residues for 1fbm_ligand_4_14.mol2(FDBF01785)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fbm | GLN54 | -0.45 | -0.38 | -0.83 | -0.49 | -1.32 |
| 1fbm | VAL47 | -0.60 | -0.04 | -0.64 | 0.09 | -0.56 |
| 1fbm | GLN54 | -0.23 | -0.18 | -0.41 | 0.04 | -0.37 |
| 1fbm | LEU51 | -1.02 | -0.74 | -1.76 | 0.93 | -0.83 |
| 1fbm | VAL47 | -0.58 | -0.04 | -0.62 | 0.02 | -0.60 |
| 1fbm | GLN54 | -0.21 | -2.52 | -2.73 | 1.70 | -1.03 |
