Binding information for 2vvu_ligand_frag_1.mol2(FDBF00485)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vvu_ligand_frag_1.mol2 | 2vvu | 0.773196 | -6.11 | N1=CCC=CC1=O | 7 |
Structure and binding mode of 2vvu_ligand_frag_1.mol2(FDBF00485)
Important binding residues for 2vvu_ligand_frag_1.mol2(FDBF00485)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vvu | TYR99 | -1.61 | -0.51 | -2.12 | 0.77 | -1.36 |
| 2vvu | PHE174 | -1.30 | 0.58 | -0.72 | -0.25 | -0.98 |
| 2vvu | TRP215 | -0.93 | -1.36 | -2.29 | 0.83 | -1.47 |
