4YBI
Crystal structure of BACE with amino thiazine inhibitor LY2811376
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, F (A, B) | (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine | non-polymer | 320.4 | 2 | Chemie (4B2) | |||
| 3 | D, E, G, H (A, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 4 | I, J (A, B) | water | water | 18.0 | 754 | Chemie (HOH) |
Sequence modifications
A, B: -47 - 393 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met -48 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 97940.2 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1009.1 | |
| All* | Total formula weight | 98949.3 |
