Binding information for 2bvs_ligand_5_4046.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bvs_ligand_5_4046.mol2 | 2bvs | 1 | -5.17 | C(NC(=O)C)COC | 8 |
Structure and binding mode of 2bvs_ligand_5_4046.mol2(FDBF01215)
Important binding residues for 2bvs_ligand_5_4046.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2bvs | LEU99 | -0.56 | -0.09 | -0.65 | 0.17 | -0.48 |
| 2bvs | TRP215 | -0.86 | -1.98 | -2.84 | 1.32 | -1.53 |
| 2bvs | GLY216 | -0.49 | -1.26 | -1.75 | 1.21 | -0.54 |
