2ZJI
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Beta-secretase 1 | polymer | 405 | 45240.9 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | A | N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide | non-polymer | 352.5 | 1 | Chemie (F1I) | |||
| 3 | water | water | 18.0 | 232 | Chemie (HOH) |
Sequence modifications
A: 430 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 429 | - | expression tag |
| Cys 329 | Thr 390 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45240.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 352.5 | |
| All* | Total formula weight | 45593.4 |
