Binding information for 2xye_ligand_2_42.mol2(FDBF00038)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xye_ligand_2_42.mol2 | 2xye | 1 | -6.64 | C(=O)(NC)CC(C)(C)C | 9 |
Structure and binding mode of 2xye_ligand_2_42.mol2(FDBF00038)
Important binding residues for 2xye_ligand_2_42.mol2(FDBF00038)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xye | ALA28 | -0.54 | -1.58 | -2.12 | 0.80 | -1.32 |
| 2xye | ASP29 | -1.14 | 1.10 | -0.04 | -1.53 | -1.58 |
| 2xye | GLY48 | -0.54 | -3.05 | -3.59 | 2.73 | -0.86 |
