Binding information for 3avz_ligand_2_102.mol2(FDBF07661)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3avz_ligand_2_102.mol2 | 3avz | 0.772727 | -5.48 | [C@H](C=O)(/N=C\O)C | 7 |
Structure and binding mode of 3avz_ligand_2_102.mol2(FDBF07661)
Important binding residues for 3avz_ligand_2_102.mol2(FDBF07661)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3avz | HIS41 | -0.42 | -0.32 | -0.74 | 0.24 | -0.49 |
| 3avz | LEU141 | -0.38 | -0.45 | -0.83 | -0.19 | -1.02 |
| 3avz | GLY143 | -0.64 | -0.84 | -1.48 | 1.17 | -0.31 |
| 3avz | MET165 | -0.70 | 0.07 | -0.63 | 0.02 | -0.61 |
