Binding information for 1jld_ligand_4_2314.mol2(FDBF00038)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jld_ligand_4_2314.mol2 | 1jld | 1 | -6.59 | [C@@H](C(=O)NC)(C)C(C)(C)C | 10 |
Structure and binding mode of 1jld_ligand_4_2314.mol2(FDBF00038)
Important binding residues for 1jld_ligand_4_2314.mol2(FDBF00038)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1jld | GLY27 | -0.02 | -3.05 | -3.07 | 2.29 | -0.79 |
| 1jld | ALA28 | -0.77 | -0.11 | -0.88 | 0.21 | -0.67 |
| 1jld | GLY49 | -0.74 | -1.61 | -2.35 | 1.41 | -0.94 |
| 1jld | ILE50 | -1.19 | -0.47 | -1.66 | 0.52 | -1.13 |
| 1jld | LEU23 | -0.71 | 1.06 | 0.35 | -0.69 | -0.33 |
| 1jld | ILE50 | -0.41 | -0.13 | -0.54 | -0.04 | -0.58 |
| 1jld | PRO81 | -0.49 | -0.09 | -0.58 | 0.11 | -0.47 |
| 1jld | ILE82 | -0.46 | 0.11 | -0.35 | 0.00 | -0.35 |
