Binding information for 2g1y_ligand_2_14.mol2(FDBF00168)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g1y_ligand_2_14.mol2 | 2g1y | 1 | -5.66 | O(C)CC | 4 |
Structure and binding mode of 2g1y_ligand_2_14.mol2(FDBF00168)
Important binding residues for 2g1y_ligand_2_14.mol2(FDBF00168)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g1y | GLN14 | -0.78 | -1.03 | -1.81 | 0.37 | -1.45 |
| 2g1y | TYR15 | -0.82 | -0.54 | -1.36 | 0.63 | -0.73 |
| 2g1y | VAL31 | -0.96 | -0.11 | -1.07 | -0.13 | -1.20 |
| 2g1y | ALA224 | -0.61 | -0.03 | -0.64 | 0.31 | -0.34 |
| 2g1y | SER225 | -0.66 | -0.18 | -0.84 | 0.42 | -0.42 |
