Binding information for 3hvj_ligand_2_15.mol2(FDBF05639)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hvj_ligand_2_15.mol2 | 3hvj | 1 | -5.51 | C(=C)CNC=O | 6 |
Structure and binding mode of 3hvj_ligand_2_15.mol2(FDBF05639)
Important binding residues for 3hvj_ligand_2_15.mol2(FDBF05639)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hvj | MET83 | -1.30 | -0.49 | -1.79 | 0.46 | -1.33 |
| 3hvj | ASP184 | -0.49 | -3.31 | -3.8 | 3.41 | -0.39 |
| 3hvj | HIS185 | -0.59 | -0.14 | -0.73 | 0.03 | -0.70 |
| 3hvj | ASN213 | -0.15 | -0.39 | -0.54 | -0.01 | -0.54 |
