Binding information for 2xyf_ligand_1_13.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xyf_ligand_1_13.mol2 | 2xyf | 1 | -6.35 | C(C)(C)(C)C | 5 |
Structure and binding mode of 2xyf_ligand_1_13.mol2(FDBF00007)
Important binding residues for 2xyf_ligand_1_13.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xyf | ALA128 | -0.60 | 0.01 | -0.59 | 0.06 | -0.53 |
| 2xyf | ILE147 | -0.79 | 0.01 | -0.78 | -0.05 | -0.83 |
| 2xyf | VAL184 | -0.43 | 0.00 | -0.43 | 0.00 | -0.42 |
