Binding information for 4hj2_ligand_3_646.mol2(FDBF05977)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_3_646.mol2 | 4hj2 | 0.466667 | -5.03 | C(CCl)[NH2+]C | 5 |
Structure and binding mode of 4hj2_ligand_3_646.mol2(FDBF05977)
Important binding residues for 4hj2_ligand_3_646.mol2(FDBF05977)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.23 | -15.54 | -15.77 | 15.34 | -0.43 |
| 4hj2 | PHE220 | -1.12 | -19.54 | -20.66 | 19.32 | -1.33 |
