Binding information for 4iwd_ligand_2_9.mol2(FDBF01539)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4iwd_ligand_2_9.mol2 | 4iwd | 1 | -5.61 | CNS(=O)(=O)C | 6 |
Structure and binding mode of 4iwd_ligand_2_9.mol2(FDBF01539)
Important binding residues for 4iwd_ligand_2_9.mol2(FDBF01539)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4iwd | ARG1208 | -1.47 | 2.96 | 1.49 | -1.95 | -0.46 |
| 4iwd | MET1211 | -0.80 | -0.62 | -1.42 | 0.44 | -0.98 |
| 4iwd | ALA1221 | -0.38 | -1.07 | -1.45 | 0.60 | -0.85 |
