Binding information for 4ezj_ligand_1_3.mol2(FDBF02143)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ezj_ligand_1_3.mol2 | 4ezj | 1 | -5.87 | C[N@@H+]1CC[C@H](CC1)C(O)(C)C | 11 |
Structure and binding mode of 4ezj_ligand_1_3.mol2(FDBF02143)
Important binding residues for 4ezj_ligand_1_3.mol2(FDBF02143)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ezj | MET804 | -0.82 | 2.74 | 1.92 | -2.77 | -0.85 |
| 4ezj | TRP812 | -1.06 | -17.58 | -18.64 | 18.00 | -0.64 |
| 4ezj | THR887 | -0.46 | -1.43 | -1.89 | 1.54 | -0.34 |
