Binding information for 2b8l_ligand_4_128.mol2(FDBF00695)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b8l_ligand_4_128.mol2 | 2b8l | 0.848485 | -7.51 | C[C@@H](O)CCc1ccccc1 | 11 |
Structure and binding mode of 2b8l_ligand_4_128.mol2(FDBF00695)
Important binding residues for 2b8l_ligand_4_128.mol2(FDBF00695)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b8l | GLY34 | -0.79 | 1.20 | 0.41 | -1.50 | -1.09 |
| 2b8l | SER35 | -0.55 | 0.38 | -0.17 | -0.38 | -0.55 |
| 2b8l | TYR71 | -1.83 | -0.43 | -2.26 | 1.16 | -1.10 |
| 2b8l | PHE108 | -1.48 | -0.49 | -1.97 | 1.22 | -0.75 |
| 2b8l | ILE118 | -0.84 | 0.08 | -0.76 | -0.22 | -0.97 |
| 2b8l | GLY230 | -1.21 | 0.92 | -0.29 | -0.54 | -0.83 |
| 2b8l | THR231 | -0.69 | -0.07 | -0.76 | 0.36 | -0.41 |
