Binding information for 1bim_ligand_3_219.mol2(FDBF00332)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bim_ligand_3_219.mol2 | 1bim | 1 | -6.78 | C(=O)NCCC1CCCCC1 | 11 |
Structure and binding mode of 1bim_ligand_3_219.mol2(FDBF00332)
Important binding residues for 1bim_ligand_3_219.mol2(FDBF00332)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bim | VAL30 | -0.62 | 0.07 | -0.55 | -0.14 | -0.69 |
| 1bim | GLY34 | -0.16 | 0.21 | 0.05 | -0.37 | -0.32 |
| 1bim | TYR75 | -2.20 | -0.42 | -2.62 | 0.93 | -1.69 |
| 1bim | THR77 | -0.84 | -1.95 | -2.79 | 2.17 | -0.62 |
| 1bim | PHE112 | -0.57 | -0.03 | -0.6 | 0.21 | -0.40 |
| 1bim | VAL120 | -0.61 | 0.07 | -0.54 | -0.23 | -0.77 |
| 1bim | ALA218 | -0.47 | 0.04 | -0.43 | 0.03 | -0.41 |
