Binding information for 2jh0_ligand_1_2.mol2(FDBF02736)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2jh0_ligand_1_2.mol2 | 2jh0 | 0.961538 | -5.70 | C1CCN(C1=O)CC | 8 |
Structure and binding mode of 2jh0_ligand_1_2.mol2(FDBF02736)
Important binding residues for 2jh0_ligand_1_2.mol2(FDBF02736)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2jh0 | TRP60D | -0.64 | 0.10 | -0.54 | 0.08 | -0.46 |
| 2jh0 | LEU99 | -0.41 | 0.28 | -0.13 | -0.20 | -0.33 |
| 2jh0 | TRP215 | -1.29 | -2.00 | -3.29 | 1.22 | -2.07 |
| 2jh0 | GLY216 | -0.88 | -1.54 | -2.42 | 1.51 | -0.90 |
| 2jh0 | GLU217 | -0.50 | -0.46 | -0.96 | 0.64 | -0.32 |
