Binding information for 4hj2_ligand_5_5516.mol2(FDBF01313)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_5_5516.mol2 | 4hj2 | 0.833333 | -5.43 | CCSCC[NH3+] | 6 |
Structure and binding mode of 4hj2_ligand_5_5516.mol2(FDBF01313)
Important binding residues for 4hj2_ligand_5_5516.mol2(FDBF01313)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.45 | -16.09 | -16.54 | 15.95 | -0.59 |
| 4hj2 | ARG15 | -0.95 | 24.47 | 23.52 | -23.95 | -0.43 |
| 4hj2 | PRO56 | -0.27 | -0.16 | -0.43 | 0.11 | -0.31 |
| 4hj2 | PHE220 | -1.79 | -21.60 | -23.39 | 20.87 | -2.52 |
