Binding information for 2jh5_ligand_1_2.mol2(FDBF02736)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2jh5_ligand_1_2.mol2 | 2jh5 | 0.961538 | -5.70 | C(C)N1CCCC1=O | 8 |
Structure and binding mode of 2jh5_ligand_1_2.mol2(FDBF02736)
Important binding residues for 2jh5_ligand_1_2.mol2(FDBF02736)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2jh5 | TRP60D | -0.51 | 0.08 | -0.43 | 0.06 | -0.38 |
| 2jh5 | TRP215 | -0.96 | -2.44 | -3.4 | 1.27 | -2.14 |
| 2jh5 | GLY216 | -0.83 | -1.68 | -2.51 | 1.06 | -1.45 |
