Binding information for 1lzq_ligand_4_681.mol2(FDBF02928)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lzq_ligand_4_681.mol2 | 1lzq | 1 | -6.31 | C(c1ccccc1)[C@H](NC(=O)O)C | 13 |
Structure and binding mode of 1lzq_ligand_4_681.mol2(FDBF02928)
Important binding residues for 1lzq_ligand_4_681.mol2(FDBF02928)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lzq | LEU23 | -0.68 | -13.29 | -13.97 | 13.45 | -0.52 |
| 1lzq | GLY27 | -0.08 | -0.18 | -0.26 | -0.06 | -0.32 |
| 1lzq | ILE50 | -0.57 | -3.24 | -3.81 | 2.87 | -0.94 |
| 1lzq | PRO81 | -0.74 | -1.53 | -2.27 | 1.41 | -0.87 |
| 1lzq | VAL84 | -0.42 | -0.47 | -0.89 | 0.37 | -0.52 |
| 1lzq | ALA128 | -1.18 | -3.05 | -4.23 | 2.69 | -1.55 |
| 1lzq | ILE147 | -0.15 | -1.71 | -1.86 | 1.53 | -0.33 |
| 1lzq | ILE150 | -0.59 | 0.75 | 0.16 | -0.75 | -0.59 |
