Binding information for 1pq6_ligand_5_826.mol2(FDBF00634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pq6_ligand_5_826.mol2 | 1pq6 | 1 | -5.39 | OCCC[NH2+]C | 6 |
Structure and binding mode of 1pq6_ligand_5_826.mol2(FDBF00634)
Important binding residues for 1pq6_ligand_5_826.mol2(FDBF00634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pq6 | PHE271 | -1.33 | -1.85 | -3.18 | 2.18 | -1.00 |
| 1pq6 | LEU274 | -1.18 | 1.25 | 0.07 | -1.37 | -1.30 |
| 1pq6 | ALA275 | -0.85 | 1.43 | 0.58 | -1.27 | -0.69 |
| 1pq6 | MET312 | -0.40 | 0.58 | 0.18 | -0.58 | -0.40 |
| 1pq6 | PHE329 | -1.05 | -0.21 | -1.26 | -0.21 | -1.48 |
| 1pq6 | PHE340 | -0.62 | 0.42 | -0.2 | -0.34 | -0.53 |
