Binding information for 1j36_ligand_2_14.mol2(FDBF00450)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1j36_ligand_2_14.mol2 | 1j36 | 1 | -5.65 | C(C)[NH2+]CC(=O)O | 7 |
Structure and binding mode of 1j36_ligand_2_14.mol2(FDBF00450)
Important binding residues for 1j36_ligand_2_14.mol2(FDBF00450)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1j36 | ALA338 | 0.19 | -6.73 | -6.54 | 4.21 | -2.33 |
| 1j36 | SER339 | -0.50 | -1.39 | -1.89 | 1.21 | -0.68 |
| 1j36 | GLU395 | -0.58 | 21.88 | 21.3 | -25.80 | -4.50 |
| 1j36 | TYR507 | -0.69 | -2.95 | -3.64 | 2.89 | -0.75 |
