Binding information for 1kzk_ligand_2_0.mol2(FDBF00403)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kzk_ligand_2_0.mol2 | 1kzk | 1 | -6.72 | C(=O)(NC)c1c(c(ccc1)O)C | 12 |
Structure and binding mode of 1kzk_ligand_2_0.mol2(FDBF00403)
Important binding residues for 1kzk_ligand_2_0.mol2(FDBF00403)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1kzk | GLY27 | -0.82 | -1.82 | -2.64 | 1.68 | -0.97 |
| 1kzk | ALA28 | -1.78 | -0.49 | -2.27 | 0.18 | -2.09 |
| 1kzk | ASP29 | -1.66 | -2.85 | -4.51 | 3.57 | -0.93 |
| 1kzk | ILE47 | -1.04 | -0.24 | -1.28 | -0.00 | -1.28 |
| 1kzk | GLY49 | -0.72 | -1.04 | -1.76 | 0.94 | -0.82 |
| 1kzk | ILE84 | -0.52 | 0.00 | -0.52 | -0.01 | -0.53 |
| 1kzk | ILE50 | -1.05 | -0.53 | -1.58 | 0.22 | -1.37 |
