6BFE
BACE crystal structure with hydroxy pyrrolidine inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Beta-secretase 1 | polymer | 442 | 48970.1 | 2 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (Human) | Aspartyl protease 2,Asp 2,Beta-site amyloid precursor protein cleaving enzyme 1,Beta-site APP cleaving enzyme 1,Memapsin-2,Membrane-associated aspartic protease 2 |
| 2 | C, H (A, B) | N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide | non-polymer | 410.5 | 2 | Chemie (DJV) | |||
| 3 | D, E, F, G, I (A, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 4 | J, K (A, B) | water | water | 18.0 | 848 | Chemie (HOH) |
Sequence modifications
A, B: -47 - 393 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met -48 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 97940.2 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1281.5 | |
| All* | Total formula weight | 99221.7 |
