Binding information for 2uxz_ligand_4_699.mol2(FDBF02377)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uxz_ligand_4_699.mol2 | 2uxz | 0.782609 | -6.58 | C(C)(C)(C)CC(=O)N[NH2+]C | 10 |
Structure and binding mode of 2uxz_ligand_4_699.mol2(FDBF02377)
Important binding residues for 2uxz_ligand_4_699.mol2(FDBF02377)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uxz | GLY27 | -0.69 | -5.06 | -5.75 | 4.48 | -1.28 |
| 2uxz | ASP29 | -0.55 | -20.96 | -21.51 | 20.94 | -0.57 |
| 2uxz | VAL32 | -0.52 | -13.63 | -14.15 | 13.75 | -0.40 |
| 2uxz | ILE47 | -0.89 | 1.06 | 0.17 | -0.97 | -0.79 |
| 2uxz | GLY49 | -0.69 | 1.13 | 0.44 | -0.92 | -0.48 |
| 2uxz | ILE50 | -0.38 | 0.25 | -0.13 | -0.37 | -0.50 |
| 2uxz | ILE84 | -0.61 | 0.52 | -0.09 | -0.49 | -0.57 |
| 2uxz | ASP125 | -0.28 | -33.27 | -33.55 | 33.01 | -0.53 |
| 2uxz | VAL182 | -0.37 | -0.76 | -1.13 | 0.73 | -0.40 |
