Binding information for 4zow_ligand_3_1.mol2(FDBF06416)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zow_ligand_3_1.mol2 | 4zow | 0.961538 | -5.91 | C(Cl)(Cl)C(=O)NCCO | 9 |
Structure and binding mode of 4zow_ligand_3_1.mol2(FDBF06416)
Important binding residues for 4zow_ligand_3_1.mol2(FDBF06416)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zow | TYR30 | -2.02 | -0.58 | -2.6 | 1.09 | -1.51 |
| 4zow | ASN33 | -0.74 | 1.05 | 0.31 | -0.98 | -0.66 |
| 4zow | LEU62 | -0.55 | 0.10 | -0.45 | -0.04 | -0.49 |
| 4zow | LEU119 | -0.65 | 0.92 | 0.27 | -0.86 | -0.59 |
| 4zow | ALA153 | -0.24 | 0.19 | -0.05 | -0.34 | -0.38 |
| 4zow | PRO154 | -0.53 | 0.05 | -0.48 | -0.09 | -0.58 |
| 4zow | LEU236 | -0.81 | -0.35 | -1.16 | 0.25 | -0.91 |
