Binding information for 2yiu_ligand_4_261.mol2(FDBF00175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yiu_ligand_4_261.mol2 | 2yiu | 1 | -6.18 | CC[C@H](C)COC | 7 |
Structure and binding mode of 2yiu_ligand_4_261.mol2(FDBF00175)
Important binding residues for 2yiu_ligand_4_261.mol2(FDBF00175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yiu | MET140 | -1.04 | 0.12 | -0.92 | 0.21 | -0.72 |
| 2yiu | ILE162 | -0.64 | 0.06 | -0.58 | -0.22 | -0.80 |
| 2yiu | LEU165 | -0.39 | -0.06 | -0.45 | 0.03 | -0.42 |
| 2yiu | PHE298 | -1.90 | 0.06 | -1.84 | 0.52 | -1.32 |
| 2yiu | PHE301 | -0.86 | -0.01 | -0.87 | 0.08 | -0.79 |
| 2yiu | TYR302 | -0.43 | 0.02 | -0.41 | 0.02 | -0.39 |
| 2yiu | MET336 | -1.22 | -0.50 | -1.72 | 0.84 | -0.88 |
| 2yiu | PHE337 | -0.75 | 0.04 | -0.71 | 0.39 | -0.31 |
