Binding information for 2b8v_ligand_4_91.mol2(FDBF00695)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b8v_ligand_4_91.mol2 | 2b8v | 0.848485 | -7.46 | c1ccccc1CC[C@H](O)C | 11 |
Structure and binding mode of 2b8v_ligand_4_91.mol2(FDBF00695)
Important binding residues for 2b8v_ligand_4_91.mol2(FDBF00695)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b8v | GLY34 | -0.77 | 1.34 | 0.57 | -1.42 | -0.86 |
| 2b8v | SER35 | -0.53 | 0.39 | -0.14 | -0.37 | -0.51 |
| 2b8v | TYR71 | -1.64 | -0.54 | -2.18 | 1.15 | -1.03 |
| 2b8v | PHE108 | -1.39 | -0.39 | -1.78 | 1.10 | -0.69 |
| 2b8v | ILE118 | -0.78 | 0.07 | -0.71 | -0.22 | -0.93 |
| 2b8v | GLY230 | -1.19 | 0.75 | -0.44 | -0.37 | -0.80 |
