Binding information for 2wkz_ligand_2_76.mol2(FDBF00033)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wkz_ligand_2_76.mol2 | 2wkz | 1 | -6.50 | NC(=O)CC(C)(C)C | 8 |
Structure and binding mode of 2wkz_ligand_2_76.mol2(FDBF00033)
Important binding residues for 2wkz_ligand_2_76.mol2(FDBF00033)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wkz | ILE50 | -0.86 | -0.23 | -1.09 | 0.09 | -1.00 |
| 2wkz | GLY127 | -0.50 | -1.28 | -1.78 | 1.32 | -0.47 |
| 2wkz | ILE147 | -0.94 | 0.15 | -0.79 | -0.10 | -0.90 |
| 2wkz | GLY149 | -0.59 | -1.43 | -2.02 | 1.04 | -0.99 |
| 2wkz | ILE184 | -0.72 | 0.04 | -0.68 | -0.04 | -0.71 |
