Binding information for 1ohr_ligand_4_142.mol2(FDBF00413)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ohr_ligand_4_142.mol2 | 1ohr | 1 | -5.72 | C[C@@H](O)CCS | 6 |
Structure and binding mode of 1ohr_ligand_4_142.mol2(FDBF00413)
Important binding residues for 1ohr_ligand_4_142.mol2(FDBF00413)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ohr | GLY27 | -0.75 | -0.15 | -0.9 | -1.38 | -2.27 |
| 1ohr | GLY49 | -0.21 | -0.31 | -0.52 | 0.13 | -0.40 |
| 1ohr | ILE50 | -0.42 | -0.41 | -0.83 | 0.36 | -0.46 |
| 1ohr | GLY27 | -0.57 | 0.33 | -0.24 | -1.00 | -1.24 |
| 1ohr | ALA28 | -0.56 | -0.15 | -0.71 | 0.14 | -0.57 |
| 1ohr | ILE84 | -0.38 | -0.05 | -0.43 | -0.13 | -0.56 |
