Binding information for 6prc_ligand_frag_2.mol2(FDBF06811)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 6prc_ligand_frag_2.mol2 | 6prc | 0.555556 | -5.36 | C(C#N)C | 4 |
Structure and binding mode of 6prc_ligand_frag_2.mol2(FDBF06811)
Important binding residues for 6prc_ligand_frag_2.mol2(FDBF06811)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 6prc | LEU189 | -0.39 | -0.12 | -0.51 | 0.06 | -0.44 |
| 6prc | PHE216 | -0.68 | -0.18 | -0.86 | 0.23 | -0.63 |
| 6prc | VAL220 | -0.40 | -0.16 | -0.56 | 0.08 | -0.48 |
| 6prc | TYR222 | -0.57 | -0.38 | -0.95 | 0.54 | -0.41 |
| 6prc | ILE224 | -0.47 | 0.30 | -0.17 | -0.27 | -0.44 |
