Binding information for 4imq_ligand_1_2.mol2(FDBF05238)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4imq_ligand_1_2.mol2 | 4imq | 0.818182 | -5.57 | CNC(=O)O | 5 |
Structure and binding mode of 4imq_ligand_1_2.mol2(FDBF05238)
Important binding residues for 4imq_ligand_1_2.mol2(FDBF05238)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4imq | ILE109 | -0.56 | -3.83 | -4.39 | 3.02 | -1.37 |
| 4imq | GLN110 | -0.93 | -11.31 | -12.24 | 9.32 | -2.92 |
| 4imq | ALA159 | -0.38 | -2.17 | -2.55 | 2.02 | -0.53 |
| 4imq | THR161 | -0.55 | -2.74 | -3.29 | 2.59 | -0.70 |
