Binding information for 1pq6_ligand_6_1254.mol2(FDBF00634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pq6_ligand_6_1254.mol2 | 1pq6 | 1 | -5.50 | C[NH+](C)CCCO | 7 |
Structure and binding mode of 1pq6_ligand_6_1254.mol2(FDBF00634)
Important binding residues for 1pq6_ligand_6_1254.mol2(FDBF00634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pq6 | PHE271 | -1.47 | -1.93 | -3.4 | 2.51 | -0.89 |
| 1pq6 | THR272 | -0.28 | -1.13 | -1.41 | 1.04 | -0.38 |
| 1pq6 | LEU274 | -1.20 | 1.16 | -0.04 | -1.42 | -1.46 |
| 1pq6 | ALA275 | -1.01 | 1.47 | 0.46 | -1.36 | -0.90 |
| 1pq6 | SER278 | -0.20 | 0.55 | 0.35 | -0.67 | -0.31 |
| 1pq6 | MET312 | -0.44 | 0.60 | 0.16 | -0.62 | -0.46 |
| 1pq6 | PHE329 | -1.05 | -0.36 | -1.41 | -0.08 | -1.49 |
| 1pq6 | PHE340 | -0.65 | 0.37 | -0.28 | -0.27 | -0.55 |
| 1pq6 | LEU345 | -0.33 | 0.89 | 0.56 | -0.89 | -0.34 |
