Binding information for 1a7c_ligand_2_82.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_2_82.mol2 | 1a7c | 1 | -5.96 | CNC(=O)C | 5 |
Structure and binding mode of 1a7c_ligand_2_82.mol2(FDBF00027)
Important binding residues for 1a7c_ligand_2_82.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7c | MET147 | -0.33 | 0.02 | -0.31 | 0.01 | -0.31 |
| 1a7c | ILE148 | -0.75 | 0.11 | -0.64 | 0.02 | -0.62 |
| 1a7c | LEU169 | -0.32 | -3.10 | -3.42 | 2.25 | -1.17 |
| 1a7c | TYR170 | -0.48 | 0.03 | -0.45 | 0.11 | -0.34 |
| 1a7c | VAL324 | -0.81 | -2.40 | -3.21 | 0.56 | -2.64 |
| 1a7c | LYS325 | -0.60 | -2.77 | -3.37 | 1.81 | -1.56 |
| 1a7c | PHE372 | -0.82 | -0.13 | -0.95 | 0.25 | -0.70 |
