Binding information for 4zip_ligand_2_71.mol2(FDBF05740)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zip_ligand_2_71.mol2 | 4zip | 1 | -6.91 | N(C(=O)c1cc(ccc1)C)C | 11 |
Structure and binding mode of 4zip_ligand_2_71.mol2(FDBF05740)
Important binding residues for 4zip_ligand_2_71.mol2(FDBF05740)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zip | ILE50 | -0.84 | -0.46 | -1.3 | 0.23 | -1.07 |
| 4zip | GLY27 | -0.87 | -1.37 | -2.24 | 1.54 | -0.70 |
| 4zip | ALA28 | -1.66 | -0.51 | -2.17 | 0.17 | -2.00 |
| 4zip | ASP29 | -0.81 | -1.72 | -2.53 | 2.08 | -0.45 |
| 4zip | ILE47 | -1.34 | -0.02 | -1.36 | -0.12 | -1.48 |
| 4zip | GLY49 | -0.39 | -1.09 | -1.48 | 0.94 | -0.54 |
| 4zip | ILE84 | -0.49 | -0.03 | -0.52 | 0.00 | -0.52 |
