Binding information for 2yb0_ligand_frag_1.mol2(FDBF00994)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yb0_ligand_frag_1.mol2 | 2yb0 | 0.73913 | -6.00 | C1C[C@@H](CO1)O | 6 |
Structure and binding mode of 2yb0_ligand_frag_1.mol2(FDBF00994)
Important binding residues for 2yb0_ligand_frag_1.mol2(FDBF00994)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yb0 | ASP79 | -0.24 | -8.58 | -8.82 | 6.67 | -2.14 |
| 2yb0 | PHE83 | -0.73 | -0.13 | -0.86 | 0.49 | -0.37 |
| 2yb0 | LYS179 | -0.89 | 1.67 | 0.78 | -1.57 | -0.80 |
| 2yb0 | ASN183 | -1.21 | -1.80 | -3.01 | 0.52 | -2.49 |
