Binding information for 1lag_ligand_1_1.mol2(FDBF00051)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lag_ligand_1_1.mol2 | 1lag | 1 | -6.06 | c1(c[nH+]c[nH]1)C | 6 |
Structure and binding mode of 1lag_ligand_1_1.mol2(FDBF00051)
Important binding residues for 1lag_ligand_1_1.mol2(FDBF00051)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lag | PHE52 | -1.35 | 0.47 | -0.88 | 0.41 | -0.46 |
| 1lag | LEU117 | -0.47 | -2.34 | -2.81 | 2.30 | -0.51 |
| 1lag | SER120 | -0.42 | -0.55 | -0.97 | 0.60 | -0.37 |
| 1lag | GLN160 | -0.13 | -0.27 | -0.4 | 0.07 | -0.32 |
