Binding information for 4lbl_ligand_frag_8.mol2(FDBF00639)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lbl_ligand_frag_8.mol2 | 4lbl | 1 | -5.63 | C1[C@@H](C[C@H](CO1)O)O | 8 |
Structure and binding mode of 4lbl_ligand_frag_8.mol2(FDBF00639)
Important binding residues for 4lbl_ligand_frag_8.mol2(FDBF00639)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lbl | HIS158 | 0.18 | -3.97 | -3.79 | 2.39 | -1.40 |
| 4lbl | ARG162 | -0.76 | -1.87 | -2.63 | 2.12 | -0.51 |
| 4lbl | TRP181 | -1.85 | -0.20 | -2.05 | 0.37 | -1.69 |
