Binding information for 2ow2_ligand_2_4.mol2(FDBF00381)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ow2_ligand_2_4.mol2 | 2ow2 | 1 | -6.60 | S(=O)(=O)(C)c1ccccc1 | 10 |
Structure and binding mode of 2ow2_ligand_2_4.mol2(FDBF00381)
Important binding residues for 2ow2_ligand_2_4.mol2(FDBF00381)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ow2 | LEU187 | -0.74 | -1.06 | -1.8 | 0.57 | -1.23 |
| 2ow2 | LEU188 | -1.46 | -1.52 | -2.98 | 1.12 | -1.86 |
| 2ow2 | HIS401 | -1.63 | -0.16 | -1.79 | 0.24 | -1.54 |
| 2ow2 | MET422 | -0.55 | -0.51 | -1.06 | 0.44 | -0.62 |
| 2ow2 | TYR423 | -0.98 | -0.02 | -1 | 0.05 | -0.95 |
