Binding information for 5bpe_ligand_frag_11.mol2(FDBF07652)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5bpe_ligand_frag_11.mol2 | 5bpe | 1 | -5.07 | C(O)C#N | 4 |
Structure and binding mode of 5bpe_ligand_frag_11.mol2(FDBF07652)
Important binding residues for 5bpe_ligand_frag_11.mol2(FDBF07652)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5bpe | PHE25 | -0.57 | -0.13 | -0.7 | 0.22 | -0.48 |
| 5bpe | GLN146 | -0.32 | -0.73 | -1.05 | 0.66 | -0.38 |
