Binding information for 2c6n_ligand_2_22.mol2(FDBF00450)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c6n_ligand_2_22.mol2 | 2c6n | 1 | -5.71 | C(C)[NH2+]CC(=O)O | 7 |
Structure and binding mode of 2c6n_ligand_2_22.mol2(FDBF00450)
Important binding residues for 2c6n_ligand_2_22.mol2(FDBF00450)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c6n | HIS331 | -1.07 | 0.52 | -0.55 | -0.13 | -0.68 |
| 2c6n | SER333 | -0.61 | -1.44 | -2.05 | 1.36 | -0.68 |
| 2c6n | GLU389 | -0.59 | 21.94 | 21.35 | -25.10 | -3.74 |
