Binding information for 2zu5_ligand_7_25555.mol2(FDBF00351)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zu5_ligand_7_25555.mol2 | 2zu5 | 1 | -6.48 | N(C(=O)C)[C@H](C(=O)NC(C)C)C | 12 |
Structure and binding mode of 2zu5_ligand_7_25555.mol2(FDBF00351)
Important binding residues for 2zu5_ligand_7_25555.mol2(FDBF00351)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zu5 | MET49 | -0.50 | -0.16 | -0.66 | 0.23 | -0.42 |
| 2zu5 | HIS164 | -0.96 | -2.84 | -3.8 | 1.95 | -1.86 |
| 2zu5 | MET165 | -1.70 | -2.65 | -4.35 | 1.29 | -3.06 |
| 2zu5 | GLU166 | -0.16 | -0.54 | -0.7 | -0.43 | -1.13 |
| 2zu5 | GLN189 | -1.28 | -2.17 | -3.45 | 2.56 | -0.90 |
