Binding information for 1hos_ligand_2_34.mol2(FDBF07594)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hos_ligand_2_34.mol2 | 1hos | 1 | -6.08 | C(=O)(NCC(C)C)O | 8 |
Structure and binding mode of 1hos_ligand_2_34.mol2(FDBF07594)
Important binding residues for 1hos_ligand_2_34.mol2(FDBF07594)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hos | ALA28 | -0.65 | -4.19 | -4.84 | 2.63 | -2.21 |
| 1hos | ASP29 | -0.92 | 28.12 | 27.2 | -27.83 | -0.63 |
| 1hos | ILE47 | -0.77 | -2.64 | -3.41 | 2.27 | -1.14 |
| 1hos | ARG8 | -0.08 | -10.86 | -10.94 | 10.63 | -0.32 |
| 1hos | ILE50 | -0.83 | 0.09 | -0.74 | -0.11 | -0.85 |
