Binding information for 4imq_ligand_3_130.mol2(FDBF04053)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4imq_ligand_3_130.mol2 | 4imq | 0.96 | -5.87 | C(NC(=O)O)CC(C)C | 9 |
Structure and binding mode of 4imq_ligand_3_130.mol2(FDBF04053)
Important binding residues for 4imq_ligand_3_130.mol2(FDBF04053)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4imq | ILE109 | -0.62 | -3.77 | -4.39 | 2.95 | -1.43 |
| 4imq | GLN110 | -1.05 | -10.85 | -11.9 | 9.50 | -2.40 |
| 4imq | ALA159 | -0.44 | -2.08 | -2.52 | 1.91 | -0.62 |
| 4imq | THR161 | -0.73 | -2.65 | -3.38 | 2.59 | -0.78 |
| 4imq | LYS162 | -0.79 | -17.68 | -18.47 | 17.69 | -0.79 |
