Binding information for 2c6n_ligand_2_2.mol2(FDBF01685)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c6n_ligand_2_2.mol2 | 2c6n | 1 | -5.80 | C[NH2+][C@@H](C)C(=O)O | 7 |
Structure and binding mode of 2c6n_ligand_2_2.mol2(FDBF01685)
Important binding residues for 2c6n_ligand_2_2.mol2(FDBF01685)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c6n | HIS331 | -0.96 | 0.58 | -0.38 | -0.25 | -0.62 |
| 2c6n | ALA332 | 2.17 | -7.00 | -4.83 | 4.12 | -0.71 |
| 2c6n | SER333 | -0.75 | -1.25 | -2 | 1.45 | -0.55 |
| 2c6n | GLU389 | -0.60 | 21.87 | 21.27 | -25.29 | -4.02 |
