Binding information for 2vcg_ligand_4_205.mol2(FDBF00081)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vcg_ligand_4_205.mol2 | 2vcg | 1 | -6.59 | C(C)CCC | 5 |
Structure and binding mode of 2vcg_ligand_4_205.mol2(FDBF00081)
Important binding residues for 2vcg_ligand_4_205.mol2(FDBF00081)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vcg | GLY157 | -0.69 | 0.02 | -0.67 | 0.26 | -0.41 |
| 2vcg | ASP186 | -0.07 | -0.01 | -0.08 | -0.99 | -1.07 |
| 2vcg | HIS188 | -1.00 | 0.04 | -0.96 | -0.62 | -1.59 |
| 2vcg | PHE214 | -1.60 | 0.04 | -1.56 | 0.34 | -1.22 |
| 2vcg | ASP274 | -0.09 | -0.01 | -0.1 | -0.71 | -0.82 |
| 2vcg | LEU281 | -0.66 | 0.00 | -0.66 | 0.17 | -0.50 |
| 2vcg | PHE347 | -0.60 | -0.00 | -0.6 | 0.17 | -0.43 |
