Binding information for 4lbo_ligand_frag_3.mol2(FDBF00639)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lbo_ligand_frag_3.mol2 | 4lbo | 1 | -5.62 | C1[C@@H](C[C@H](CO1)O)O | 8 |
Structure and binding mode of 4lbo_ligand_frag_3.mol2(FDBF00639)
Important binding residues for 4lbo_ligand_frag_3.mol2(FDBF00639)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lbo | HIS158 | -0.21 | -3.52 | -3.73 | 2.31 | -1.41 |
| 4lbo | ARG162 | -0.53 | -2.59 | -3.12 | 2.39 | -0.73 |
| 4lbo | TRP181 | -1.89 | -0.15 | -2.04 | 0.35 | -1.70 |
