Binding information for 1wv7_ligand_2_95.mol2(FDBF02158)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wv7_ligand_2_95.mol2 | 1wv7 | 1 | -5.18 | N(S(=O)(=O)CC)C | 7 |
Structure and binding mode of 1wv7_ligand_2_95.mol2(FDBF02158)
Important binding residues for 1wv7_ligand_2_95.mol2(FDBF02158)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wv7 | LYS192 | -0.48 | -5.08 | -5.56 | 5.19 | -0.37 |
| 1wv7 | TRP215 | -0.45 | 0.29 | -0.16 | -0.15 | -0.32 |
| 1wv7 | GLY216 | -0.46 | -0.85 | -1.31 | 0.78 | -0.54 |
| 1wv7 | GLY219 | 3.38 | -9.74 | -6.36 | 5.47 | -0.88 |
