Binding information for 2xye_ligand_4_1703.mol2(FDBF01799)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xye_ligand_4_1703.mol2 | 2xye | 1 | -6.25 | CC[NH2+]Cc1ccccc1 | 10 |
Structure and binding mode of 2xye_ligand_4_1703.mol2(FDBF01799)
Important binding residues for 2xye_ligand_4_1703.mol2(FDBF01799)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xye | PRO81 | -0.50 | 1.29 | 0.79 | -1.29 | -0.50 |
| 2xye | THR82 | -0.94 | 0.24 | -0.7 | -0.06 | -0.75 |
| 2xye | VAL84 | -0.66 | 0.98 | 0.32 | -0.93 | -0.61 |
| 2xye | GLY127 | -0.87 | -2.65 | -3.52 | 3.04 | -0.47 |
| 2xye | ALA128 | -0.28 | 0.65 | 0.37 | -0.73 | -0.36 |
| 2xye | ILE150 | -1.50 | 0.99 | -0.51 | -1.34 | -1.85 |
