Binding information for 2y6d_ligand_3_21.mol2(FDBF07476)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y6d_ligand_3_21.mol2 | 2y6d | 0.736842 | -5.58 | N(C=O)(O)C(C)C | 7 |
Structure and binding mode of 2y6d_ligand_3_21.mol2(FDBF07476)
Important binding residues for 2y6d_ligand_3_21.mol2(FDBF07476)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2y6d | HIS219 | -0.71 | -0.13 | -0.84 | -0.02 | -0.87 |
