Binding information for 2zzu_ligand_4_1337.mol2(FDBF00706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zzu_ligand_4_1337.mol2 | 2zzu | 0.515152 | -6.11 | C([C@H]1[C@@H]2[C@@H](CC[C@H](OC)C2)[NH2+]C1)C | 13 |
Structure and binding mode of 2zzu_ligand_4_1337.mol2(FDBF00706)
Important binding residues for 2zzu_ligand_4_1337.mol2(FDBF00706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zzu | SER170H | -1.25 | -0.58 | -1.83 | 0.44 | -1.40 |
| 2zzu | PRO170I | -1.76 | -0.38 | -2.14 | 0.57 | -1.57 |
| 2zzu | GLN217 | -1.23 | -3.22 | -4.45 | 3.95 | -0.50 |
