Binding information for 1pq6_ligand_frag_12.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pq6_ligand_frag_12.mol2 | 1pq6 | 1 | -6.84 | c1ccccc1 | 6 |
Structure and binding mode of 1pq6_ligand_frag_12.mol2(FDBF00005)
Important binding residues for 1pq6_ligand_frag_12.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pq6 | ILE327 | -0.44 | 0.09 | -0.35 | -0.06 | -0.41 |
| 1pq6 | PHE340 | -1.94 | 0.60 | -1.34 | 0.24 | -1.11 |
| 1pq6 | LEU345 | -0.40 | 0.06 | -0.34 | 0.03 | -0.31 |
| 1pq6 | ILE350 | -0.53 | 0.06 | -0.47 | 0.06 | -0.40 |
| 1pq6 | ILE353 | -1.20 | -0.21 | -1.41 | -0.07 | -1.48 |
| 1pq6 | PHE354 | -0.69 | -0.08 | -0.77 | 0.30 | -0.47 |
