Binding information for 2zc9_ligand_2_12.mol2(FDBF00029)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zc9_ligand_2_12.mol2 | 2zc9 | 1 | -6.42 | CNC(=O)[C@H]1N(C=O)CCC1 | 11 |
Structure and binding mode of 2zc9_ligand_2_12.mol2(FDBF00029)
Important binding residues for 2zc9_ligand_2_12.mol2(FDBF00029)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zc9 | HIS57 | -1.29 | 1.77 | 0.48 | -1.36 | -0.88 |
| 2zc9 | TYR60A | -1.05 | -0.49 | -1.54 | 0.87 | -0.67 |
| 2zc9 | TRP60D | -1.40 | -0.67 | -2.07 | 1.09 | -0.98 |
| 2zc9 | LEU99 | -1.02 | 0.07 | -0.95 | -0.08 | -1.03 |
| 2zc9 | SER195 | -0.55 | -0.39 | -0.94 | 0.52 | -0.43 |
| 2zc9 | SER214 | -0.31 | -3.81 | -4.12 | 2.42 | -1.70 |
| 2zc9 | TRP215 | -1.36 | -2.46 | -3.82 | 1.38 | -2.44 |
| 2zc9 | GLY216 | -0.61 | -0.33 | -0.94 | -0.17 | -1.11 |
