4ACU
Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14
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 | 411 | 45822.4 | 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, BACE-1 |
| 2 | B, C, D (A) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 3 | E (A) | (8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE | non-polymer | 451.4 | 1 | Chemie (QN7) | |||
| 4 | F (A) | water | water | 18.0 | 442 | Chemie (HOH) |
Sequence modifications
A: 484 - 502 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys 497 | Arg 56 | engineered mutation |
| Lys 498 | Arg 57 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45822.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 628.6 | |
| All* | Total formula weight | 46451.0 |
