Binding information for 2q6f_ligand_7_10669.mol2(FDBF00351)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6f_ligand_7_10669.mol2 | 2q6f | 1 | -6.46 | C(C)(NC(=O)[C@H](C)NC(=O)C)C | 12 |
Structure and binding mode of 2q6f_ligand_7_10669.mol2(FDBF00351)
Important binding residues for 2q6f_ligand_7_10669.mol2(FDBF00351)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6f | HIS162 | -0.93 | -2.41 | -3.34 | 1.78 | -1.56 |
| 2q6f | LEU163 | -0.85 | -2.16 | -3.01 | 0.85 | -2.16 |
| 2q6f | GLU164 | -0.15 | -0.83 | -0.98 | -0.49 | -1.47 |
