Binding information for 9hvp_ligand_2_34.mol2(FDBF07594)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 9hvp_ligand_2_34.mol2 | 9hvp | 1 | -6.11 | C(C)(C)CNC(=O)O | 8 |
Structure and binding mode of 9hvp_ligand_2_34.mol2(FDBF07594)
Important binding residues for 9hvp_ligand_2_34.mol2(FDBF07594)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 9hvp | ALA28 | -0.49 | -5.54 | -6.03 | 2.54 | -3.49 |
| 9hvp | ASP29 | -0.81 | 32.29 | 31.48 | -31.85 | -0.38 |
| 9hvp | VAL32 | -0.59 | 0.02 | -0.57 | -0.08 | -0.65 |
| 9hvp | ILE47 | -0.82 | -2.66 | -3.48 | 2.14 | -1.34 |
| 9hvp | ILE50 | -0.83 | -0.26 | -1.09 | 0.24 | -0.85 |
