Binding information for 1j36_ligand_2_35.mol2(FDBF01685)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1j36_ligand_2_35.mol2 | 1j36 | 1 | -5.79 | C[NH2+][C@H](C(=O)O)C | 7 |
Structure and binding mode of 1j36_ligand_2_35.mol2(FDBF01685)
Important binding residues for 1j36_ligand_2_35.mol2(FDBF01685)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1j36 | ALA338 | -0.07 | -6.84 | -6.91 | 4.34 | -2.57 |
| 1j36 | SER339 | -0.73 | -1.23 | -1.96 | 1.20 | -0.76 |
| 1j36 | GLU395 | -0.60 | 21.69 | 21.09 | -25.82 | -4.73 |
| 1j36 | TYR507 | -0.76 | -2.94 | -3.7 | 3.00 | -0.70 |
