Binding information for 2py4_ligand_frag_1.mol2(FDBF00994)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2py4_ligand_frag_1.mol2 | 2py4 | 0.73913 | -6.17 | C1C[C@@H](CO1)O | 6 |
Structure and binding mode of 2py4_ligand_frag_1.mol2(FDBF00994)
Important binding residues for 2py4_ligand_frag_1.mol2(FDBF00994)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2py4 | ILE82 | -1.14 | -0.18 | -1.32 | -0.29 | -1.61 |
| 2py4 | TYR86 | -0.82 | -0.57 | -1.39 | 0.77 | -0.61 |
