2ZJK
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
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 | 405 | 45240.9 | 3 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (Human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | D, E, F (A, B, C) | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide | non-polymer | 311.4 | 3 | Chemie (F1K) |
Sequence modifications
A, B, C: 430 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 429 | - | expression tag |
| Cys 72 | Thr 133 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 135722.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 934.3 | |
| All* | Total formula weight | 136657.0 |
