Binding information for 1j36_ligand_3_48.mol2(FDBF01687)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1j36_ligand_3_48.mol2 | 1j36 | 1 | -6.02 | C(C)[NH2+][C@H](C(=O)O)C | 8 |
Structure and binding mode of 1j36_ligand_3_48.mol2(FDBF01687)
Important binding residues for 1j36_ligand_3_48.mol2(FDBF01687)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1j36 | ALA338 | -0.02 | -6.60 | -6.62 | 4.19 | -2.42 |
| 1j36 | SER339 | -0.78 | -1.24 | -2.02 | 1.20 | -0.81 |
| 1j36 | GLU395 | -0.61 | 21.95 | 21.34 | -26.10 | -4.77 |
| 1j36 | TYR507 | -0.78 | -2.94 | -3.72 | 3.01 | -0.71 |
