5DQC
Co-crystal of BACE1 with compound 0211
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 | 390 | 43426.0 | 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, E, F (A, B, C) | N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | non-polymer | 695.9 | 3 | Chemie (5E7) | |||
| 3 | G, H, I (A, B, C) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 130277.9 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 2087.6 | |
| All* | Total formula weight | 132365.5 |
