Binding information for 2xye_ligand_2_29.mol2(FDBF00034)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xye_ligand_2_29.mol2 | 2xye | 1 | -6.29 | C(=O)NCC(C)(C)C | 8 |
Structure and binding mode of 2xye_ligand_2_29.mol2(FDBF00034)
Important binding residues for 2xye_ligand_2_29.mol2(FDBF00034)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xye | GLY49 | -0.52 | -1.46 | -1.98 | 1.02 | -0.96 |
