Binding information for 4xm6_ligand_2_5.mol2(FDBF01628)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xm6_ligand_2_5.mol2 | 4xm6 | 1 | -5.91 | C(C)(C)CN[S](O)O | 8 |
Structure and binding mode of 4xm6_ligand_2_5.mol2(FDBF01628)
Important binding residues for 4xm6_ligand_2_5.mol2(FDBF01628)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4xm6 | GLY657 | -0.96 | -4.12 | -5.08 | 4.25 | -0.83 |
| 4xm6 | LEU658 | -0.39 | -0.63 | -1.02 | 0.46 | -0.56 |
| 4xm6 | VAL675 | -0.80 | -0.41 | -1.21 | 0.28 | -0.93 |
| 4xm6 | GLU735 | -0.39 | -36.94 | -37.33 | 35.49 | -1.84 |
