3WB5
Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Beta-secretase 1 | polymer | 416 | 46393.0 | 1 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Aspartyl protease 2, ASP2, Asp 2, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Memapsin-2, Membrane-associated aspartic protease 2 |
| 2 | B, C, D (A) | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
| 3 | E, F (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 4 | G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | H (A) | (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one | non-polymer | 257.3 | 1 | Chemie (0B4) | |||
| 6 | I (A) | water | water | 18.0 | 73 | Chemie (HOH) |
Sequence modifications
A: -18 - 393 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly -22 | - | expression tag |
| Ser -21 | - | expression tag |
| His -20 | - | expression tag |
| Met -19 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46393.0 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 900.4 | |
| All* | Total formula weight | 47293.4 |
