Binding information for 2o4j_ligand_3_0.mol2(FDBF07467)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4j_ligand_3_0.mol2 | 2o4j | 0.571429 | -6.65 | CCCC(O)(C)C | 7 |
Structure and binding mode of 2o4j_ligand_3_0.mol2(FDBF07467)
Important binding residues for 2o4j_ligand_3_0.mol2(FDBF07467)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o4j | LEU223 | -0.52 | -0.07 | -0.59 | 0.07 | -0.52 |
| 2o4j | LEU226 | -0.57 | -0.02 | -0.59 | 0.05 | -0.54 |
| 2o4j | ALA227 | -0.36 | 0.02 | -0.34 | -0.06 | -0.39 |
| 2o4j | VAL230 | -0.87 | 0.10 | -0.77 | -0.26 | -1.02 |
| 2o4j | ILE264 | -0.36 | -0.02 | -0.38 | -0.05 | -0.43 |
| 2o4j | VAL296 | -0.36 | 0.06 | -0.3 | -0.14 | -0.43 |
| 2o4j | HIS301 | 0.04 | -3.33 | -3.29 | 1.44 | -1.85 |
| 2o4j | HIS393 | -0.28 | -2.83 | -3.11 | 1.70 | -1.42 |
| 2o4j | LEU400 | -0.64 | 0.28 | -0.36 | -0.22 | -0.57 |
| 2o4j | LEU410 | -0.36 | 0.11 | -0.25 | -0.10 | -0.34 |
