Binding information for 2afx_ligand_1_0.mol2(FDBF00490)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2afx_ligand_1_0.mol2 | 2afx | 1 | -5.78 | C[n+]1cc[nH]c1 | 6 |
Structure and binding mode of 2afx_ligand_1_0.mol2(FDBF00490)
Important binding residues for 2afx_ligand_1_0.mol2(FDBF00490)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2afx | ASP159 | -0.57 | 6.80 | 6.23 | -10.02 | -3.79 |
| 2afx | GLU202 | -0.80 | 5.31 | 4.51 | -7.88 | -3.37 |
| 2afx | LEU249 | -0.69 | 0.22 | -0.47 | -0.18 | -0.65 |
| 2afx | TRP329 | -0.95 | -2.56 | -3.51 | 2.72 | -0.79 |
