Binding information for 4ocx_ligand_2_6.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ocx_ligand_2_6.mol2 | 4ocx | 1 | -6.40 | N(C)(c1ccccc1)C | 9 |
Structure and binding mode of 4ocx_ligand_2_6.mol2(FDBF00049)
Important binding residues for 4ocx_ligand_2_6.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ocx | TYR33 | -1.86 | 0.24 | -1.62 | 0.67 | -0.94 |
| 4ocx | ASN33 | -0.48 | 0.02 | -0.46 | 0.15 | -0.31 |
| 4ocx | TYR37 | -2.16 | 0.42 | -1.74 | 1.41 | -0.33 |
