Binding information for 2wr8_ligand_frag_5.mol2(FDBF00059)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wr8_ligand_frag_5.mol2 | 2wr8 | 1 | -6.21 | C1OC[C@@H]([C@@H]1O)O | 7 |
Structure and binding mode of 2wr8_ligand_frag_5.mol2(FDBF00059)
Important binding residues for 2wr8_ligand_frag_5.mol2(FDBF00059)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wr8 | PHE181 | -0.76 | -0.16 | -0.92 | 0.15 | -0.77 |
| 2wr8 | TYR212 | -0.53 | -0.15 | -0.68 | 0.18 | -0.50 |
