Binding information for 2c6n_ligand_3_1.mol2(FDBF01686)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c6n_ligand_3_1.mol2 | 2c6n | 1 | -6.00 | C[NH2+][C@@H](CC)C(=O)O | 8 |
Structure and binding mode of 2c6n_ligand_3_1.mol2(FDBF01686)
Important binding residues for 2c6n_ligand_3_1.mol2(FDBF01686)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c6n | HIS331 | -1.08 | 0.58 | -0.5 | -0.23 | -0.73 |
| 2c6n | ALA332 | 2.12 | -6.70 | -4.58 | 4.01 | -0.57 |
| 2c6n | SER333 | -0.97 | -1.39 | -2.36 | 1.54 | -0.82 |
| 2c6n | GLU389 | -0.63 | 21.92 | 21.29 | -25.31 | -4.02 |
| 2c6n | PHE490 | -0.42 | -0.15 | -0.57 | 0.17 | -0.41 |
| 2c6n | HIS491 | -0.61 | -0.26 | -0.87 | 0.50 | -0.37 |
