Binding information for 2uxz_ligand_2_75.mol2(FDBF00033)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uxz_ligand_2_75.mol2 | 2uxz | 1 | -6.46 | C(C)(C)(C)CC(=O)N | 8 |
Structure and binding mode of 2uxz_ligand_2_75.mol2(FDBF00033)
Important binding residues for 2uxz_ligand_2_75.mol2(FDBF00033)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uxz | GLY27 | -0.45 | -2.05 | -2.5 | 1.74 | -0.77 |
| 2uxz | ILE47 | -0.88 | 0.14 | -0.74 | -0.15 | -0.88 |
| 2uxz | GLY49 | -0.58 | -1.60 | -2.18 | 1.16 | -1.02 |
| 2uxz | ILE84 | -0.60 | 0.01 | -0.59 | -0.01 | -0.60 |
