Binding information for 2wl0_ligand_2_76.mol2(FDBF00033)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wl0_ligand_2_76.mol2 | 2wl0 | 1 | -6.47 | C(C(=O)N)C(C)(C)C | 8 |
Structure and binding mode of 2wl0_ligand_2_76.mol2(FDBF00033)
Important binding residues for 2wl0_ligand_2_76.mol2(FDBF00033)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wl0 | ILE50 | -0.25 | -0.21 | -0.46 | 0.05 | -0.40 |
| 2wl0 | GLY127 | -0.50 | -0.80 | -1.3 | 0.97 | -0.32 |
| 2wl0 | ASP129 | -0.62 | -1.57 | -2.19 | 1.87 | -0.31 |
| 2wl0 | ILE147 | -0.81 | 0.14 | -0.67 | -0.08 | -0.76 |
| 2wl0 | GLY149 | -0.61 | -1.37 | -1.98 | 0.98 | -0.99 |
| 2wl0 | VAL184 | -0.45 | 0.03 | -0.42 | 0.04 | -0.38 |
