Binding information for 2qi7_ligand_3_91.mol2(FDBF00743)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qi7_ligand_3_91.mol2 | 2qi7 | 1 | -5.62 | C(C)C(=O)CC | 6 |
Structure and binding mode of 2qi7_ligand_3_91.mol2(FDBF00743)
Important binding residues for 2qi7_ligand_3_91.mol2(FDBF00743)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qi7 | ALA28 | -0.79 | -1.22 | -2.01 | 0.67 | -1.34 |
| 2qi7 | ILE50 | -0.36 | -0.02 | -0.38 | -0.02 | -0.39 |
