Binding information for 4hj2_ligand_5_5936.mol2(FDBF01313)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_5_5936.mol2 | 4hj2 | 0.714286 | -5.16 | S(C)CC[NH2+]C | 6 |
Structure and binding mode of 4hj2_ligand_5_5936.mol2(FDBF01313)
Important binding residues for 4hj2_ligand_5_5936.mol2(FDBF01313)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.46 | -16.04 | -16.5 | 15.93 | -0.56 |
| 4hj2 | ARG15 | -0.98 | 24.70 | 23.72 | -24.09 | -0.37 |
| 4hj2 | PHE220 | -1.67 | -21.68 | -23.35 | 21.08 | -2.27 |
