Binding information for 3h0v_ligand_2_0.mol2(FDBF00056)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3h0v_ligand_2_0.mol2 | 3h0v | 1 | -6.28 | [C@@H]1(OC[C@@H]([C@@H]1O)O)C[S](C)C | 11 |
Structure and binding mode of 3h0v_ligand_2_0.mol2(FDBF00056)
Important binding residues for 3h0v_ligand_2_0.mol2(FDBF00056)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3h0v | PHE7 | -2.30 | -0.73 | -3.03 | 0.55 | -2.47 |
| 3h0v | GLU11 | -0.08 | -35.32 | -35.4 | 35.05 | -0.34 |
| 3h0v | PHE223 | -1.56 | 0.12 | -1.44 | 0.24 | -1.21 |
| 3h0v | SER229 | 0.18 | -2.89 | -2.71 | 0.98 | -1.74 |
| 3h0v | ILE244 | -0.32 | -3.49 | -3.81 | 2.29 | -1.52 |
| 3h0v | THR245 | -1.02 | -2.09 | -3.11 | -0.10 | -3.21 |
| 3h0v | PRO246 | -0.10 | 0.76 | 0.66 | -1.14 | -0.48 |
