Binding information for 2bxt_ligand_2_27.mol2(FDBF00585)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bxt_ligand_2_27.mol2 | 2bxt | 1 | -6.14 | c1c(nccc1)CC | 8 |
Structure and binding mode of 2bxt_ligand_2_27.mol2(FDBF00585)
Important binding residues for 2bxt_ligand_2_27.mol2(FDBF00585)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2bxt | ASN98 | -0.86 | 0.20 | -0.66 | 0.14 | -0.52 |
| 2bxt | LEU99 | -0.96 | -0.00 | -0.96 | -0.09 | -1.06 |
| 2bxt | ILE174 | -1.46 | -0.19 | -1.65 | 0.03 | -1.62 |
| 2bxt | TRP215 | -1.71 | 0.66 | -1.05 | 0.21 | -0.84 |
