Binding information for 2o4r_ligand_frag_3.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4r_ligand_frag_3.mol2 | 2o4r | 1 | -6.35 | CC(O)(C)C | 5 |
Structure and binding mode of 2o4r_ligand_frag_3.mol2(FDBF00042)
Important binding residues for 2o4r_ligand_frag_3.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o4r | LEU223 | -0.48 | -0.09 | -0.57 | 0.09 | -0.48 |
| 2o4r | ALA227 | -0.32 | -0.03 | -0.35 | -0.02 | -0.36 |
| 2o4r | VAL230 | -0.65 | 0.11 | -0.54 | -0.13 | -0.66 |
| 2o4r | TYR397 | -0.79 | -0.67 | -1.46 | 0.48 | -0.97 |
| 2o4r | LEU400 | -0.56 | -1.05 | -1.61 | 1.05 | -0.56 |
| 2o4r | LEU410 | -0.38 | -0.06 | -0.44 | 0.08 | -0.36 |
