Binding information for 2xg3_ligand_frag_2.mol2(FDBF00639)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xg3_ligand_frag_2.mol2 | 2xg3 | 1 | -5.68 | C1[C@@H](C[C@H](CO1)O)O | 8 |
Structure and binding mode of 2xg3_ligand_frag_2.mol2(FDBF00639)
Important binding residues for 2xg3_ligand_frag_2.mol2(FDBF00639)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xg3 | HIS158 | 0.27 | -4.09 | -3.82 | 2.65 | -1.17 |
| 2xg3 | TRP181 | -2.05 | -0.60 | -2.65 | 0.74 | -1.90 |
