3U6A
Rational Design and Synthesis of Aminopiperazinones as Beta Secretase (BACE) Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Beta-secretase 1 | polymer | 390 | 43383.9 | 3 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Aspartyl protease 2, ASP2, Asp 2, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Memapsin-2, Membrane-associated aspartic protease 2 |
| 2 | D, H, M (A, B, C) | N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide | non-polymer | 371.8 | 3 | Chemie (18P) | |||
| 3 | E, F, G, I, J... (A, B, C) | SULFATE ION | non-polymer | 96.1 | 9 | Chemie (SO4) | |||
| 4 | P, Q, R (A, B, C) | water | water | 18.0 | 675 | Chemie (HOH) |
Sequence modifications
A, B, C: -3 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Ala -4 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 130151.6 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1980.0 | |
| All* | Total formula weight | 132131.7 |
