Binding information for 2c6n_ligand_3_14.mol2(FDBF01687)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c6n_ligand_3_14.mol2 | 2c6n | 1 | -6.05 | C(C)[NH2+][C@@H](C)C(=O)O | 8 |
Structure and binding mode of 2c6n_ligand_3_14.mol2(FDBF01687)
Important binding residues for 2c6n_ligand_3_14.mol2(FDBF01687)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c6n | HIS331 | -1.26 | 0.56 | -0.7 | -0.05 | -0.76 |
| 2c6n | SER333 | -0.80 | -1.27 | -2.07 | 1.46 | -0.61 |
| 2c6n | GLU389 | -0.61 | 22.08 | 21.47 | -25.54 | -4.07 |
