Binding information for 2f10_ligand_2_5.mol2(FDBF01761)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f10_ligand_2_5.mol2 | 2f10 | 0.869565 | -6.09 | CC[C@H]1CC[C@@H]([C@H]1O)C(=O)O | 11 |
Structure and binding mode of 2f10_ligand_2_5.mol2(FDBF01761)
Important binding residues for 2f10_ligand_2_5.mol2(FDBF01761)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2f10 | ARG21 | -0.27 | -60.14 | -60.41 | 53.70 | -6.71 |
| 2f10 | ARG237 | -1.00 | -56.71 | -57.71 | 52.03 | -5.69 |
| 2f10 | ARG304 | 0.75 | -40.16 | -39.41 | 28.50 | -10.91 |
