Binding information for 2xye_ligand_3_483.mol2(FDBF01907)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xye_ligand_3_483.mol2 | 2xye | 0.363636 | -5.31 | C[NH+](C)NC=O | 6 |
Structure and binding mode of 2xye_ligand_3_483.mol2(FDBF01907)
Important binding residues for 2xye_ligand_3_483.mol2(FDBF01907)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xye | ILE50 | -0.32 | -0.14 | -0.46 | 0.04 | -0.41 |
| 2xye | VAL84 | -0.44 | 1.08 | 0.64 | -1.01 | -0.38 |
| 2xye | GLY127 | -0.72 | -4.86 | -5.58 | 4.64 | -0.94 |
| 2xye | ALA128 | -0.54 | 1.36 | 0.82 | -1.20 | -0.38 |
| 2xye | ILE150 | -0.78 | 0.89 | 0.11 | -0.99 | -0.88 |
