Binding information for 4zow_ligand_2_0.mol2(FDBF05635)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zow_ligand_2_0.mol2 | 4zow | 0.535714 | -5.80 | C(Cl)(Cl)C(=O)NC | 7 |
Structure and binding mode of 4zow_ligand_2_0.mol2(FDBF05635)
Important binding residues for 4zow_ligand_2_0.mol2(FDBF05635)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zow | TYR30 | -1.49 | -0.66 | -2.15 | 0.85 | -1.30 |
| 4zow | ASN33 | -0.65 | 0.87 | 0.22 | -0.56 | -0.34 |
| 4zow | LEU62 | -0.52 | -0.23 | -0.75 | 0.27 | -0.48 |
| 4zow | LEU119 | -0.64 | 0.48 | -0.16 | -0.43 | -0.59 |
| 4zow | LEU236 | -0.73 | -0.29 | -1.02 | 0.20 | -0.82 |
