Binding information for 1wtg_ligand_2_75.mol2(FDBF02158)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wtg_ligand_2_75.mol2 | 1wtg | 1 | -5.19 | N(S(=O)(=O)CC)C | 7 |
Structure and binding mode of 1wtg_ligand_2_75.mol2(FDBF02158)
Important binding residues for 1wtg_ligand_2_75.mol2(FDBF02158)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wtg | LYS192 | -0.76 | -6.89 | -7.65 | 6.92 | -0.72 |
| 1wtg | GLY216 | -0.37 | -2.05 | -2.42 | 0.99 | -1.43 |
| 1wtg | GLY219 | 3.38 | -10.72 | -7.34 | 6.24 | -1.11 |
