Binding information for 2uy5_ligand_frag_0.mol2(FDBF01001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uy5_ligand_frag_0.mol2 | 2uy5 | 1 | -5.97 | c1ccoc1 | 5 |
Structure and binding mode of 2uy5_ligand_frag_0.mol2(FDBF01001)
Important binding residues for 2uy5_ligand_frag_0.mol2(FDBF01001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uy5 | TYR32 | -1.21 | 0.46 | -0.75 | 0.37 | -0.38 |
| 2uy5 | ILE211 | -0.41 | -0.21 | -0.62 | 0.01 | -0.61 |
| 2uy5 | GLN212 | -0.88 | 0.18 | -0.7 | -0.19 | -0.89 |
| 2uy5 | ALA283 | -0.71 | -0.22 | -0.93 | 0.24 | -0.69 |
| 2uy5 | LEU284 | -0.50 | 0.00 | -0.5 | -0.11 | -0.61 |
| 2uy5 | TRP285 | -0.77 | -0.12 | -0.89 | 0.22 | -0.68 |
