Binding information for 2b8l_ligand_4_120.mol2(FDBF02378)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b8l_ligand_4_120.mol2 | 2b8l | 1 | -6.40 | C[C@@H](O)[C@@H](NC=O)C | 8 |
Structure and binding mode of 2b8l_ligand_4_120.mol2(FDBF02378)
Important binding residues for 2b8l_ligand_4_120.mol2(FDBF02378)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b8l | GLY34 | -0.81 | 1.44 | 0.63 | -1.69 | -1.07 |
| 2b8l | SER35 | -0.53 | 0.38 | -0.15 | -0.37 | -0.52 |
| 2b8l | TYR71 | -1.69 | -1.98 | -3.67 | 1.70 | -1.97 |
| 2b8l | THR72 | -0.83 | -2.46 | -3.29 | 2.13 | -1.16 |
| 2b8l | GLN73 | -0.89 | -1.65 | -2.54 | 1.14 | -1.41 |
| 2b8l | ILE118 | -0.39 | 0.18 | -0.21 | -0.27 | -0.48 |
| 2b8l | GLY230 | -0.96 | -1.91 | -2.87 | 1.36 | -1.52 |
| 2b8l | THR231 | -1.16 | -0.15 | -1.31 | 0.57 | -0.74 |
