Binding information for 2wkz_ligand_4_639.mol2(FDBF02377)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wkz_ligand_4_639.mol2 | 2wkz | 0.782609 | -6.63 | [NH2+](C)NC(=O)CC(C)(C)C | 10 |
Structure and binding mode of 2wkz_ligand_4_639.mol2(FDBF02377)
Important binding residues for 2wkz_ligand_4_639.mol2(FDBF02377)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wkz | ILE50 | -0.94 | 0.06 | -0.88 | -0.08 | -0.96 |
| 2wkz | GLY127 | -0.77 | -2.65 | -3.42 | 2.54 | -0.87 |
| 2wkz | ASP129 | -0.59 | -19.76 | -20.35 | 19.78 | -0.56 |
| 2wkz | VAL132 | -0.48 | -14.10 | -14.58 | 14.21 | -0.37 |
| 2wkz | ILE147 | -0.95 | 1.00 | 0.05 | -0.84 | -0.79 |
| 2wkz | GLY149 | -0.66 | 1.27 | 0.61 | -1.16 | -0.55 |
| 2wkz | ILE184 | -0.76 | 0.69 | -0.07 | -0.67 | -0.74 |
