Binding information for 1ndz_ligand_1_8.mol2(FDBF03537)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ndz_ligand_1_8.mol2 | 1ndz | 0.685714 | -6.92 | c1cc2c(cc1)[n+](c([nH]2)C)C | 11 |
Structure and binding mode of 1ndz_ligand_1_8.mol2(FDBF03537)
Important binding residues for 1ndz_ligand_1_8.mol2(FDBF03537)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ndz | MET52 | -0.46 | 0.25 | -0.21 | -0.18 | -0.39 |
| 1ndz | LEU58 | -1.35 | 0.32 | -1.03 | -0.38 | -1.41 |
| 1ndz | VAL218 | -0.50 | 0.23 | -0.27 | -0.18 | -0.46 |
| 1ndz | LEU268 | -0.35 | -0.10 | -0.45 | 0.14 | -0.31 |
| 1ndz | THR269 | -2.18 | -1.38 | -3.56 | 1.15 | -2.42 |
