Binding information for 4b7z_ligand_2_0.mol2(FDBF01539)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b7z_ligand_2_0.mol2 | 4b7z | 1 | -5.49 | CNS(=O)(=O)C | 6 |
Structure and binding mode of 4b7z_ligand_2_0.mol2(FDBF01539)
Important binding residues for 4b7z_ligand_2_0.mol2(FDBF01539)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b7z | TRP86 | -0.46 | 0.31 | -0.15 | -0.29 | -0.43 |
| 4b7z | GLY121 | -0.47 | -1.42 | -1.89 | 0.93 | -0.95 |
| 4b7z | TYR124 | -0.83 | -2.55 | -3.38 | 1.40 | -1.99 |
| 4b7z | PHE338 | -1.02 | -0.85 | -1.87 | 0.80 | -1.07 |
| 4b7z | HIS447 | -0.37 | -1.88 | -2.25 | 1.58 | -0.66 |
