Binding information for 2j83_ligand_3_0.mol2(FDBF00165)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2j83_ligand_3_0.mol2 | 2j83 | 0.642857 | -6.40 | CC(C(=O)NO)C | 7 |
Structure and binding mode of 2j83_ligand_3_0.mol2(FDBF00165)
Important binding residues for 2j83_ligand_3_0.mol2(FDBF00165)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2j83 | ILE187 | -0.85 | 0.44 | -0.41 | -0.25 | -0.66 |
| 2j83 | GLY189 | -0.12 | -2.17 | -2.29 | 1.66 | -0.63 |
| 2j83 | GLU229 | 3.32 | -18.88 | -15.56 | 9.25 | -6.32 |
| 2j83 | HIS238 | -0.40 | 0.15 | -0.25 | -0.33 | -0.59 |
