Binding information for 1ahx_ligand.mol2(FDBF00206)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ahx_ligand.mol2 | 1ahx | 0.785714 | -7.35 | C(=O)(O)CCc1ccccc1 | 12 |
Structure and binding mode of 1ahx_ligand.mol2(FDBF00206)
Important binding residues for 1ahx_ligand.mol2(FDBF00206)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ahx | ILE17 | -1.14 | -1.54 | -2.68 | 1.10 | -1.59 |
| 1ahx | ILE37 | -1.22 | -4.44 | -5.66 | 2.47 | -3.19 |
| 1ahx | GLY38 | -0.45 | -4.99 | -5.44 | 2.71 | -2.72 |
| 1ahx | TRP140 | -0.36 | -29.98 | -30.34 | 26.33 | -4.01 |
| 1ahx | ASN194 | -0.29 | -26.02 | -26.31 | 22.72 | -3.59 |
| 1ahx | ARG386 | -0.27 | -32.85 | -33.12 | 22.54 | -10.58 |
