Binding information for 1a7c_ligand_3_354.mol2(FDBF01787)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_3_354.mol2 | 1a7c | 1 | -5.95 | CNC(=O)CCO | 7 |
Structure and binding mode of 1a7c_ligand_3_354.mol2(FDBF01787)
Important binding residues for 1a7c_ligand_3_354.mol2(FDBF01787)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7c | THR144 | -1.05 | -0.24 | -1.29 | 0.24 | -1.06 |
| 1a7c | MET147 | -1.04 | -0.98 | -2.02 | 0.72 | -1.30 |
| 1a7c | ILE148 | -1.14 | -0.15 | -1.29 | 0.38 | -0.91 |
| 1a7c | LEU169 | -0.08 | -2.60 | -2.68 | 2.01 | -0.67 |
| 1a7c | TYR170 | 0.12 | -0.74 | -0.62 | 0.16 | -0.46 |
| 1a7c | VAL324 | -0.84 | -2.24 | -3.08 | 0.47 | -2.60 |
| 1a7c | LYS325 | -0.81 | -1.85 | -2.66 | 1.08 | -1.58 |
| 1a7c | PHE372 | -0.89 | -0.15 | -1.04 | 0.30 | -0.74 |
