Binding information for 2j83_ligand_5_633.mol2(FDBF00187)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2j83_ligand_5_633.mol2 | 2j83 | 1 | -6.62 | C[C@H](C(=O)NC)CC(C)C | 10 |
Structure and binding mode of 2j83_ligand_5_633.mol2(FDBF00187)
Important binding residues for 2j83_ligand_5_633.mol2(FDBF00187)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2j83 | ILE187 | -1.43 | -2.44 | -3.87 | 0.89 | -2.97 |
| 2j83 | LEU188 | -0.52 | -3.48 | -4 | 1.36 | -2.63 |
| 2j83 | THR225 | -0.82 | -0.05 | -0.87 | 0.27 | -0.60 |
| 2j83 | TYR292 | -2.03 | -0.59 | -2.62 | 0.98 | -1.64 |
