Binding information for 2zu5_ligand_5_4201.mol2(FDBF05640)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zu5_ligand_5_4201.mol2 | 2zu5 | 0.653846 | -5.80 | C=C[C@@H](NC(=O)C)C | 8 |
Structure and binding mode of 2zu5_ligand_5_4201.mol2(FDBF05640)
Important binding residues for 2zu5_ligand_5_4201.mol2(FDBF05640)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zu5 | HIS164 | -0.76 | -2.37 | -3.13 | 1.94 | -1.18 |
| 2zu5 | MET165 | -1.11 | 0.25 | -0.86 | 0.15 | -0.71 |
