Binding information for 2vcg_ligand_3_36.mol2(FDBF07649)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vcg_ligand_3_36.mol2 | 2vcg | 0.622642 | -6.00 | [C@H](C(=O)OC)(NC(=O)C)C | 10 |
Structure and binding mode of 2vcg_ligand_3_36.mol2(FDBF07649)
Important binding residues for 2vcg_ligand_3_36.mol2(FDBF07649)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vcg | ALA28 | -0.91 | 0.11 | -0.8 | -0.20 | -1.00 |
| 2vcg | PHE214 | -0.35 | -0.41 | -0.76 | 0.19 | -0.58 |
| 2vcg | TYR344 | -1.09 | -0.42 | -1.51 | 0.51 | -1.00 |
| 2vcg | PHE347 | -1.78 | -0.54 | -2.32 | 0.41 | -1.91 |
