Binding information for 4xm7_ligand_2_17.mol2(FDBF01628)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xm7_ligand_2_17.mol2 | 4xm7 | 1 | -5.98 | C(C)(C)CN[S](O)O | 8 |
Structure and binding mode of 4xm7_ligand_2_17.mol2(FDBF01628)
Important binding residues for 4xm7_ligand_2_17.mol2(FDBF01628)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4xm7 | GLY657 | -0.69 | -2.53 | -3.22 | 2.52 | -0.70 |
| 4xm7 | LEU658 | -0.14 | -0.48 | -0.62 | 0.32 | -0.31 |
| 4xm7 | VAL675 | -1.17 | -1.47 | -2.64 | 1.62 | -1.01 |
| 4xm7 | LEU677 | -0.71 | 0.28 | -0.43 | -0.22 | -0.66 |
| 4xm7 | GLU735 | -0.16 | -22.17 | -22.33 | 21.55 | -0.78 |
| 4xm7 | ARG742 | -0.22 | 5.78 | 5.56 | -6.00 | -0.44 |
