Binding information for 4ohk_ligand_2_7.mol2(FDBF00176)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ohk_ligand_2_7.mol2 | 4ohk | 0.555556 | -6.96 | CC[C@@H](O)c1ccccc1 | 10 |
Structure and binding mode of 4ohk_ligand_2_7.mol2(FDBF00176)
Important binding residues for 4ohk_ligand_2_7.mol2(FDBF00176)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ohk | VAL28 | -1.08 | -0.20 | -1.28 | -0.25 | -1.53 |
| 4ohk | ARG518 | -1.04 | 1.03 | -0.01 | -1.30 | -1.30 |
| 4ohk | LEU520 | -0.11 | -0.04 | -0.15 | -0.21 | -0.37 |
| 4ohk | ALA521 | -0.84 | -0.47 | -1.31 | 0.22 | -1.09 |
| 4ohk | MET522 | -1.16 | -0.02 | -1.18 | 0.30 | -0.87 |
| 4ohk | ARG525 | -0.91 | -5.96 | -6.87 | 3.78 | -3.08 |
