Binding information for 1izh_ligand_7_26035.mol2(FDBF00348)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1izh_ligand_7_26035.mol2 | 1izh | 1 | -6.66 | N(C(=O)C(C)C)[C@H](C(=O)NC)C | 12 |
Structure and binding mode of 1izh_ligand_7_26035.mol2(FDBF00348)
Important binding residues for 1izh_ligand_7_26035.mol2(FDBF00348)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1izh | ARG8 | -0.69 | -2.03 | -2.72 | 2.25 | -0.47 |
| 1izh | GLY27 | -0.14 | 0.17 | 0.03 | -0.36 | -0.32 |
| 1izh | ILE50 | -0.68 | -0.11 | -0.79 | -0.01 | -0.80 |
| 1izh | ILE84 | -0.66 | 0.08 | -0.58 | -0.18 | -0.76 |
| 1izh | GLY27 | -0.72 | -1.48 | -2.2 | 1.01 | -1.19 |
| 1izh | ALA28 | -1.05 | -1.45 | -2.5 | 0.83 | -1.67 |
| 1izh | ASP29 | -1.25 | 1.17 | -0.08 | -0.44 | -0.52 |
| 1izh | GLY48 | -0.42 | -2.96 | -3.38 | 2.31 | -1.07 |
| 1izh | GLY49 | -0.72 | -1.85 | -2.57 | 1.36 | -1.21 |
| 1izh | ILE50 | -0.53 | -0.44 | -0.97 | 0.50 | -0.48 |
