Binding information for 4mhy_ligand_1_2.mol2(FDBF06331)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mhy_ligand_1_2.mol2 | 4mhy | 0.4 | -5.31 | C/N=C/S | 4 |
Structure and binding mode of 4mhy_ligand_1_2.mol2(FDBF06331)
Important binding residues for 4mhy_ligand_1_2.mol2(FDBF06331)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mhy | TRP189 | -0.51 | -0.71 | -1.22 | 0.84 | -0.38 |
| 4mhy | ILE295 | -1.08 | -0.20 | -1.28 | 0.07 | -1.21 |
| 4mhy | PHE317 | -0.53 | -0.29 | -0.82 | 0.27 | -0.54 |
