Binding information for 4hj2_ligand_4_2311.mol2(FDBF00646)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_4_2311.mol2 | 4hj2 | 0.833333 | -5.31 | CC[NH2+]CCCl | 6 |
Structure and binding mode of 4hj2_ligand_4_2311.mol2(FDBF00646)
Important binding residues for 4hj2_ligand_4_2311.mol2(FDBF00646)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.42 | -15.65 | -16.07 | 15.51 | -0.56 |
| 4hj2 | PHE220 | -1.56 | -19.34 | -20.9 | 19.20 | -1.69 |
