Binding information for 1a7c_ligand_1_11.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_1_11.mol2 | 1a7c | 1 | -5.52 | CNC=O | 4 |
Structure and binding mode of 1a7c_ligand_1_11.mol2(FDBF00024)
Important binding residues for 1a7c_ligand_1_11.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7c | ILE148 | -0.63 | 0.10 | -0.53 | 0.03 | -0.50 |
| 1a7c | LEU169 | -0.34 | -3.20 | -3.54 | 2.23 | -1.31 |
| 1a7c | VAL324 | -0.74 | -2.31 | -3.05 | 0.47 | -2.57 |
| 1a7c | LYS325 | -0.37 | -2.69 | -3.06 | 1.60 | -1.47 |
| 1a7c | PHE372 | -0.62 | -0.11 | -0.73 | 0.19 | -0.55 |
