Binding information for 4imq_ligand_2_24.mol2(FDBF01132)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4imq_ligand_2_24.mol2 | 4imq | 1 | -5.68 | C(NC(=O)O)C | 6 |
Structure and binding mode of 4imq_ligand_2_24.mol2(FDBF01132)
Important binding residues for 4imq_ligand_2_24.mol2(FDBF01132)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4imq | ILE109 | -0.58 | -3.79 | -4.37 | 2.98 | -1.39 |
| 4imq | GLN110 | -1.03 | -11.13 | -12.16 | 9.21 | -2.95 |
| 4imq | ALA159 | -0.42 | -2.10 | -2.52 | 1.96 | -0.56 |
| 4imq | THR161 | -0.61 | -2.73 | -3.34 | 2.60 | -0.73 |
