Binding information for 3jzg_ligand_3_550.mol2(FDBF00069)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3jzg_ligand_3_550.mol2 | 3jzg | 1 | -5.94 | CCC[N+](C)(C)C | 7 |
Structure and binding mode of 3jzg_ligand_3_550.mol2(FDBF00069)
Important binding residues for 3jzg_ligand_3_550.mol2(FDBF00069)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3jzg | PHE97 | -1.52 | 18.13 | 16.61 | -18.19 | -1.58 |
| 3jzg | TYR148 | -1.89 | -2.15 | -4.04 | 2.58 | -1.46 |
| 3jzg | TRP364 | -2.06 | -3.32 | -5.38 | 4.21 | -1.18 |
| 3jzg | TYR365 | -2.10 | -3.75 | -5.85 | 3.87 | -1.98 |
| 3jzg | ARG414 | -0.54 | 7.28 | 6.74 | -7.14 | -0.39 |
