Binding information for 2o4j_ligand_2_0.mol2(FDBF07563)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4j_ligand_2_0.mol2 | 2o4j | 1 | -6.50 | CCC(O)(C)C | 6 |
Structure and binding mode of 2o4j_ligand_2_0.mol2(FDBF07563)
Important binding residues for 2o4j_ligand_2_0.mol2(FDBF07563)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o4j | LEU223 | -0.51 | -0.07 | -0.58 | 0.07 | -0.52 |
| 2o4j | LEU226 | -0.45 | -0.02 | -0.47 | 0.04 | -0.42 |
| 2o4j | ALA227 | -0.35 | 0.02 | -0.33 | -0.06 | -0.38 |
| 2o4j | VAL230 | -0.80 | 0.10 | -0.7 | -0.23 | -0.93 |
| 2o4j | ILE264 | -0.31 | -0.02 | -0.33 | -0.03 | -0.36 |
| 2o4j | HIS301 | 0.29 | -3.37 | -3.08 | 1.34 | -1.74 |
| 2o4j | HIS393 | -0.21 | -2.88 | -3.09 | 1.67 | -1.42 |
| 2o4j | LEU400 | -0.63 | 0.31 | -0.32 | -0.23 | -0.55 |
| 2o4j | LEU410 | -0.35 | 0.11 | -0.24 | -0.10 | -0.34 |
