Binding information for 2bvx_ligand_2_27.mol2(FDBF00585)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bvx_ligand_2_27.mol2 | 2bvx | 1 | -6.01 | c1c(nccc1)CC | 8 |
Structure and binding mode of 2bvx_ligand_2_27.mol2(FDBF00585)
Important binding residues for 2bvx_ligand_2_27.mol2(FDBF00585)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2bvx | LEU99 | -1.12 | 0.04 | -1.08 | -0.12 | -1.20 |
| 2bvx | TRP215 | -1.58 | 0.68 | -0.9 | 0.22 | -0.67 |
