Binding information for 4czs_ligand_2_4.mol2(FDBF00159)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4czs_ligand_2_4.mol2 | 4czs | 1 | -4.85 | CO[NH2+]C | 4 |
Structure and binding mode of 4czs_ligand_2_4.mol2(FDBF00159)
Important binding residues for 4czs_ligand_2_4.mol2(FDBF00159)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4czs | TYR12 | -0.54 | -1.85 | -2.39 | 0.81 | -1.58 |
| 4czs | LEU99 | -0.65 | 1.94 | 1.29 | -1.92 | -0.63 |
| 4czs | TYR100 | -0.48 | -1.79 | -2.27 | 1.87 | -0.40 |
