Binding information for 2b8v_ligand_4_84.mol2(FDBF02378)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b8v_ligand_4_84.mol2 | 2b8v | 1 | -6.36 | N(C=O)[C@@H](C)[C@H](O)C | 8 |
Structure and binding mode of 2b8v_ligand_4_84.mol2(FDBF02378)
Important binding residues for 2b8v_ligand_4_84.mol2(FDBF02378)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b8v | GLY34 | -0.79 | 1.58 | 0.79 | -1.62 | -0.83 |
| 2b8v | SER35 | -0.52 | 0.38 | -0.14 | -0.36 | -0.49 |
| 2b8v | TYR71 | -1.59 | -2.07 | -3.66 | 1.64 | -2.03 |
| 2b8v | THR72 | -0.77 | -2.25 | -3.02 | 2.04 | -0.97 |
| 2b8v | GLN73 | -0.87 | -1.52 | -2.39 | 1.08 | -1.31 |
| 2b8v | ILE118 | -0.40 | 0.19 | -0.21 | -0.27 | -0.48 |
| 2b8v | GLY230 | -0.97 | -2.11 | -3.08 | 1.53 | -1.55 |
| 2b8v | THR231 | -1.01 | -0.10 | -1.11 | 0.58 | -0.54 |
