4X7I
Crystal Structure of BACE with amino thiazine inhibitor LY2886721
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Beta-secretase 1 | polymer | 442 | 48970.1 | 2 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | A, B | N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | non-polymer | 390.4 | 2 | Chemie (3YS) | |||
| 3 | A, B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 4 | water | water | 18.0 | 860 | 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 | 4 |
| Total formula weight | 965.0 | |
| All* | Total formula weight | 98905.2 |
