Binding information for 2uy5_ligand_1_0.mol2(FDBF01929)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uy5_ligand_1_0.mol2 | 2uy5 | 0.525 | -6.43 | Cc1ccco1 | 6 |
Structure and binding mode of 2uy5_ligand_1_0.mol2(FDBF01929)
Important binding residues for 2uy5_ligand_1_0.mol2(FDBF01929)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uy5 | TYR32 | -1.71 | 0.55 | -1.16 | 0.48 | -0.69 |
| 2uy5 | ALA187 | -0.41 | 0.08 | -0.33 | -0.07 | -0.40 |
| 2uy5 | ILE211 | -0.42 | -0.19 | -0.61 | -0.00 | -0.61 |
| 2uy5 | GLN212 | -1.09 | 0.09 | -1 | 0.07 | -0.92 |
| 2uy5 | ALA283 | -0.72 | -0.22 | -0.94 | 0.25 | -0.70 |
| 2uy5 | LEU284 | -0.52 | 0.00 | -0.52 | -0.10 | -0.62 |
| 2uy5 | TRP285 | -1.03 | -0.15 | -1.18 | 0.33 | -0.85 |
