Binding information for 2wl0_ligand_4_639.mol2(FDBF02377)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wl0_ligand_4_639.mol2 | 2wl0 | 0.782609 | -6.60 | C(C(=O)N[NH2+]C)C(C)(C)C | 10 |
Structure and binding mode of 2wl0_ligand_4_639.mol2(FDBF02377)
Important binding residues for 2wl0_ligand_4_639.mol2(FDBF02377)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wl0 | ILE50 | -0.35 | 0.10 | -0.25 | -0.13 | -0.39 |
| 2wl0 | GLY127 | -0.76 | -1.50 | -2.26 | 1.72 | -0.54 |
| 2wl0 | ASP129 | -0.63 | -19.85 | -20.48 | 19.89 | -0.59 |
| 2wl0 | VAL132 | -0.48 | -14.32 | -14.8 | 14.44 | -0.36 |
| 2wl0 | ILE147 | -0.82 | 1.00 | 0.18 | -0.82 | -0.64 |
| 2wl0 | GLY149 | -0.67 | 1.26 | 0.59 | -1.17 | -0.59 |
| 2wl0 | ILE150 | -0.37 | 1.22 | 0.85 | -1.20 | -0.34 |
| 2wl0 | VAL184 | -0.48 | 0.65 | 0.17 | -0.54 | -0.37 |
