Binding information for 4mhy_ligand_1_3.mol2(FDBF00490)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mhy_ligand_1_3.mol2 | 4mhy | 1 | -5.88 | c1c[n+](c[nH]1)C | 6 |
Structure and binding mode of 4mhy_ligand_1_3.mol2(FDBF00490)
Important binding residues for 4mhy_ligand_1_3.mol2(FDBF00490)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mhy | ASP144 | -0.56 | 7.08 | 6.52 | -9.96 | -3.44 |
| 4mhy | GLU184 | -0.85 | 5.29 | 4.44 | -7.37 | -2.93 |
| 4mhy | TRP189 | -0.89 | -1.22 | -2.11 | 1.41 | -0.69 |
| 4mhy | LEU239 | -0.61 | 0.29 | -0.32 | -0.22 | -0.54 |
| 4mhy | TRP321 | -1.02 | -2.47 | -3.49 | 2.65 | -0.85 |
