Binding information for 2vcb_ligand_1_3.mol2(FDBF05801)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vcb_ligand_1_3.mol2 | 2vcb | 0.935484 | -6.01 | c1(ccccc1)NC(=O)O | 10 |
Structure and binding mode of 2vcb_ligand_1_3.mol2(FDBF05801)
Important binding residues for 2vcb_ligand_1_3.mol2(FDBF05801)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vcb | TRP517 | -0.52 | -2.73 | -3.25 | 2.55 | -0.71 |
| 2vcb | PHE566 | -0.84 | -1.83 | -2.67 | 1.94 | -0.72 |
| 2vcb | ARG569 | -0.11 | -12.01 | -12.12 | 11.31 | -0.80 |
| 2vcb | TRP685 | -1.56 | 2.25 | 0.69 | -1.37 | -0.69 |
