Binding information for 4zow_ligand_3_0.mol2(FDBF00970)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zow_ligand_3_0.mol2 | 4zow | 1 | -6.03 | C(Cl)(Cl)C(=O)NCCO | 9 |
Structure and binding mode of 4zow_ligand_3_0.mol2(FDBF00970)
Important binding residues for 4zow_ligand_3_0.mol2(FDBF00970)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zow | TYR30 | -1.65 | -0.36 | -2.01 | 0.89 | -1.11 |
| 4zow | ASN33 | 0.90 | -1.85 | -0.95 | -0.69 | -1.63 |
| 4zow | LEU62 | -0.58 | 0.28 | -0.3 | -0.22 | -0.52 |
| 4zow | LEU119 | -0.64 | 0.86 | 0.22 | -0.80 | -0.57 |
| 4zow | PRO154 | -0.31 | 0.14 | -0.17 | -0.18 | -0.35 |
| 4zow | LEU236 | -1.00 | -0.28 | -1.28 | 0.22 | -1.06 |
