Binding information for 2a4g_ligand_2_0.mol2(FDBF00808)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2a4g_ligand_2_0.mol2 | 2a4g | 1 | -5.42 | C(=O)(OCC(C)C)N | 8 |
Structure and binding mode of 2a4g_ligand_2_0.mol2(FDBF00808)
Important binding residues for 2a4g_ligand_2_0.mol2(FDBF00808)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2a4g | ALA156 | -1.03 | 0.03 | -1 | 0.04 | -0.96 |
| 2a4g | ALA157 | -0.74 | -1.92 | -2.66 | 1.70 | -0.96 |
| 2a4g | VAL158 | -0.92 | -0.02 | -0.94 | -0.04 | -0.99 |
