Binding information for 1a7c_ligand_3_308.mol2(FDBF00231)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_3_308.mol2 | 1a7c | 1 | -6.49 | C(=O)(NC)[C@@H](NC=O)C | 9 |
Structure and binding mode of 1a7c_ligand_3_308.mol2(FDBF00231)
Important binding residues for 1a7c_ligand_3_308.mol2(FDBF00231)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7c | MET147 | -1.18 | -0.08 | -1.26 | 0.19 | -1.06 |
| 1a7c | TYR170 | -1.12 | -1.78 | -2.9 | 0.61 | -2.28 |
| 1a7c | PHE171 | -0.33 | -5.51 | -5.84 | 2.94 | -2.90 |
| 1a7c | LYS325 | -0.58 | -3.34 | -3.92 | 2.14 | -1.78 |
| 1a7c | ILE326 | -1.15 | -2.33 | -3.48 | 0.70 | -2.78 |
| 1a7c | GLU327 | -0.53 | -0.07 | -0.6 | -0.35 | -0.95 |
| 1a7c | PHE372 | -1.61 | -0.30 | -1.91 | 0.38 | -1.53 |
