Binding information for 2xye_ligand_2_110.mol2(FDBF00033)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xye_ligand_2_110.mol2 | 2xye | 1 | -6.44 | NC(=O)CC(C)(C)C | 8 |
Structure and binding mode of 2xye_ligand_2_110.mol2(FDBF00033)
Important binding residues for 2xye_ligand_2_110.mol2(FDBF00033)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xye | ILE50 | -0.87 | -0.11 | -0.98 | 0.01 | -0.97 |
| 2xye | GLY127 | -0.36 | -2.11 | -2.47 | 1.73 | -0.74 |
| 2xye | ILE147 | -0.89 | 0.15 | -0.74 | -0.13 | -0.86 |
| 2xye | GLY149 | -0.42 | -1.79 | -2.21 | 1.18 | -1.03 |
| 2xye | VAL184 | -0.43 | 0.01 | -0.42 | 0.01 | -0.41 |
