6DHC
X-ray structure of BACE1 in complex with a bicyclic isoxazoline carboxamide as the P3 ligand
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 | 441 | 48838.9 | 3 | 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 | D, K, P (A, B, C) | (3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide | non-polymer | 615.8 | 3 | Chemie (GHJ) | |||
| 3 | E, F, G, L, M... (A, B, C) | GLYCEROL | non-polymer | 92.1 | 9 | Chemie (GOL) | |||
| 4 | H, I, J, O (A, B) | UREA | non-polymer | 60.1 | 4 | Chemie (URE) | |||
| 5 | T (C) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | U, V, W (A, B, C) | water | water | 18.0 | 245 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 146516.8 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 3012.6 | |
| All* | Total formula weight | 149529.4 |
