Binding information for 2xye_ligand_1_12.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xye_ligand_1_12.mol2 | 2xye | 1 | -6.37 | CC(C)(C)C | 5 |
Structure and binding mode of 2xye_ligand_1_12.mol2(FDBF00007)
Important binding residues for 2xye_ligand_1_12.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xye | ILE50 | -0.62 | -0.00 | -0.62 | 0.02 | -0.60 |
| 2xye | ALA128 | -0.52 | 0.01 | -0.51 | 0.07 | -0.44 |
| 2xye | ILE147 | -0.87 | 0.01 | -0.86 | -0.03 | -0.89 |
| 2xye | VAL184 | -0.41 | 0.00 | -0.41 | -0.01 | -0.41 |
