Binding information for 4xs2_ligand_4_124.mol2(FDBF03398)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xs2_ligand_4_124.mol2 | 4xs2 | 0.684211 | -5.22 | O(C)CCC[NH3+] | 6 |
Structure and binding mode of 4xs2_ligand_4_124.mol2(FDBF03398)
Important binding residues for 4xs2_ligand_4_124.mol2(FDBF03398)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4xs2 | MET265 | 0.02 | -8.84 | -8.82 | 4.58 | -4.24 |
| 4xs2 | SER269 | -0.11 | -0.25 | -0.36 | 0.02 | -0.34 |
| 4xs2 | LEU319 | -0.06 | -22.34 | -22.4 | 22.03 | -0.37 |
