Binding information for 4mhy_ligand_2_8.mol2(FDBF03627)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mhy_ligand_2_8.mol2 | 4mhy | 0.615385 | -6.18 | c1c[n+](c[nH]1)CC | 7 |
Structure and binding mode of 4mhy_ligand_2_8.mol2(FDBF03627)
Important binding residues for 4mhy_ligand_2_8.mol2(FDBF03627)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mhy | ASP144 | -0.57 | 7.25 | 6.68 | -10.08 | -3.40 |
| 4mhy | GLU184 | -0.87 | 5.43 | 4.56 | -7.50 | -2.93 |
| 4mhy | TRP189 | -1.04 | -1.22 | -2.26 | 1.49 | -0.76 |
| 4mhy | LEU239 | -0.65 | 0.31 | -0.34 | -0.21 | -0.56 |
| 4mhy | ILE295 | -0.37 | 0.22 | -0.15 | -0.36 | -0.51 |
| 4mhy | PHE317 | -0.53 | 0.09 | -0.44 | 0.12 | -0.32 |
| 4mhy | TRP321 | -1.22 | -2.54 | -3.76 | 2.80 | -0.96 |
