Binding information for 2bvs_ligand_4_1750.mol2(FDBF06535)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bvs_ligand_4_1750.mol2 | 2bvs | 0.863636 | -5.04 | C(NC=O)COC | 7 |
Structure and binding mode of 2bvs_ligand_4_1750.mol2(FDBF06535)
Important binding residues for 2bvs_ligand_4_1750.mol2(FDBF06535)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2bvs | LEU99 | -0.56 | -0.16 | -0.72 | 0.23 | -0.49 |
| 2bvs | TRP215 | -0.80 | -1.90 | -2.7 | 1.24 | -1.46 |
| 2bvs | GLY216 | -0.41 | -1.33 | -1.74 | 1.13 | -0.61 |
