Binding information for 4zjw_ligand_1_2.mol2(FDBF07656)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zjw_ligand_1_2.mol2 | 4zjw | 0.788462 | -7.00 | C(=O)(NC)c1ccc(cc1)Cl | 11 |
Structure and binding mode of 4zjw_ligand_1_2.mol2(FDBF07656)
Important binding residues for 4zjw_ligand_1_2.mol2(FDBF07656)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zjw | LEU287 | -0.64 | -0.74 | -1.38 | 0.76 | -0.62 |
| 4zjw | HIS323 | -2.59 | -1.04 | -3.63 | 1.58 | -2.05 |
| 4zjw | LEU324 | -0.43 | -0.08 | -0.51 | 0.15 | -0.36 |
| 4zjw | ALA327 | -0.49 | -0.02 | -0.51 | 0.02 | -0.49 |
| 4zjw | MET365 | -1.07 | 0.70 | -0.37 | -0.32 | -0.68 |
| 4zjw | PHE377 | -0.97 | 0.19 | -0.78 | -0.10 | -0.89 |
| 4zjw | PHE378 | -1.16 | -1.86 | -3.02 | 0.49 | -2.52 |
