Binding information for 4bdb_ligand.mol2(FDBF00171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bdb_ligand.mol2 | 4bdb | 0.612245 | -7.10 | O/N=C(\C)/c1c(O)cc(O)cc1 | 13 |
Structure and binding mode of 4bdb_ligand.mol2(FDBF00171)
Important binding residues for 4bdb_ligand.mol2(FDBF00171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bdb | VAL234 | -1.02 | -0.16 | -1.18 | -0.06 | -1.24 |
| 4bdb | ALA247 | -0.41 | -0.23 | -0.64 | 0.17 | -0.47 |
| 4bdb | LEU303 | -0.90 | 0.22 | -0.68 | 0.21 | -0.47 |
| 4bdb | GLY307 | -0.36 | -0.22 | -0.58 | -0.17 | -0.74 |
| 4bdb | LEU354 | -1.71 | -0.15 | -1.86 | -0.09 | -1.95 |
