Binding information for 2zzu_ligand_2_95.mol2(FDBF02158)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zzu_ligand_2_95.mol2 | 2zzu | 1 | -5.20 | N(S(=O)(=O)CC)C | 7 |
Structure and binding mode of 2zzu_ligand_2_95.mol2(FDBF02158)
Important binding residues for 2zzu_ligand_2_95.mol2(FDBF02158)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zzu | LYS192 | -0.75 | -7.06 | -7.81 | 6.89 | -0.92 |
| 2zzu | GLY216 | 0.36 | -2.69 | -2.33 | 1.26 | -1.07 |
