Binding information for 1lpz_ligand_1_0.mol2(FDBF01111)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lpz_ligand_1_0.mol2 | 1lpz | 0.85 | -6.35 | C1C[C@@H]2[C@H]([C@@H](C1)C)C[C@@H]([N@@H+]2C)C(=O)N | 14 |
Structure and binding mode of 1lpz_ligand_1_0.mol2(FDBF01111)
Important binding residues for 1lpz_ligand_1_0.mol2(FDBF01111)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lpz | CYS191 | -0.71 | -0.08 | -0.79 | -0.11 | -0.90 |
| 1lpz | GLN192 | -2.57 | 0.61 | -1.96 | 0.48 | -1.48 |
| 1lpz | TRP215 | -0.87 | -1.40 | -2.27 | 0.92 | -1.36 |
| 1lpz | GLY216 | -0.60 | -0.10 | -0.7 | 0.34 | -0.35 |
| 1lpz | GLU217 | -0.30 | -0.11 | -0.41 | -1.09 | -1.51 |
