Binding information for 4hj2_ligand_2_122.mol2(FDBF00640)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_2_122.mol2 | 4hj2 | 1 | -5.04 | C(CCl)[NH3+] | 4 |
Structure and binding mode of 4hj2_ligand_2_122.mol2(FDBF00640)
Important binding residues for 4hj2_ligand_2_122.mol2(FDBF00640)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.09 | -15.12 | -15.21 | 14.90 | -0.31 |
| 4hj2 | PHE220 | -0.77 | -19.22 | -19.99 | 19.04 | -0.95 |
