Binding information for 1a7c_ligand_3_357.mol2(FDBF00970)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_3_357.mol2 | 1a7c | 0.653846 | -6.06 | C(CO)NC(=O)C | 7 |
Structure and binding mode of 1a7c_ligand_3_357.mol2(FDBF00970)
Important binding residues for 1a7c_ligand_3_357.mol2(FDBF00970)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7c | SER35 | -0.66 | -0.34 | -1 | 0.57 | -0.43 |
| 1a7c | MET147 | -0.34 | 0.03 | -0.31 | -0.00 | -0.31 |
| 1a7c | ILE148 | -0.79 | -0.14 | -0.93 | 0.28 | -0.64 |
| 1a7c | LEU169 | -0.27 | -3.34 | -3.61 | 2.55 | -1.06 |
| 1a7c | TYR170 | -0.51 | 0.12 | -0.39 | 0.03 | -0.36 |
| 1a7c | GLN322 | -0.60 | 0.08 | -0.52 | -0.02 | -0.55 |
| 1a7c | VAL324 | -1.25 | -2.10 | -3.35 | 0.47 | -2.88 |
| 1a7c | LYS325 | -0.63 | -2.37 | -3 | 1.46 | -1.54 |
| 1a7c | PHE372 | -0.84 | 0.05 | -0.79 | 0.20 | -0.59 |
