Binding information for 2qmg_ligand_2_3.mol2(FDBF05740)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qmg_ligand_2_3.mol2 | 2qmg | 1 | -6.48 | C(=O)(NC)c1cc(ccc1)C | 11 |
Structure and binding mode of 2qmg_ligand_2_3.mol2(FDBF05740)
Important binding residues for 2qmg_ligand_2_3.mol2(FDBF05740)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qmg | TYR132 | -0.98 | -1.52 | -2.5 | 0.97 | -1.53 |
| 2qmg | THR133 | -0.92 | -1.69 | -2.61 | 1.52 | -1.09 |
| 2qmg | GLN134 | -2.66 | -1.58 | -4.24 | 1.83 | -2.42 |
| 2qmg | GLY291 | -0.75 | -2.23 | -2.98 | 2.09 | -0.88 |
| 2qmg | THR292 | -1.79 | 0.06 | -1.73 | 0.66 | -1.07 |
| 2qmg | ARG296 | -0.99 | 0.06 | -0.93 | 0.50 | -0.43 |
