Binding information for 4czs_ligand_3_3.mol2(FDBF04544)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4czs_ligand_3_3.mol2 | 4czs | 0.5 | -5.03 | C(C)O[NH2+]C | 5 |
Structure and binding mode of 4czs_ligand_3_3.mol2(FDBF04544)
Important binding residues for 4czs_ligand_3_3.mol2(FDBF04544)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4czs | TYR12 | -0.72 | -1.96 | -2.68 | 0.85 | -1.83 |
| 4czs | LEU99 | -1.08 | 2.07 | 0.99 | -1.98 | -0.99 |
| 4czs | TYR100 | -0.64 | -1.77 | -2.41 | 1.91 | -0.51 |
