4JOO
Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
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 | 406 | 45445.1 | 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 (A) | NICKEL (II) ION | non-polymer | 58.7 | 2 | Chemie (NI) | |||
| 3 | D (A) | (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one | non-polymer | 338.2 | 1 | Chemie (1M4) | |||
| 4 | E (A) | water | water | 18.0 | 332 | Chemie (HOH) |
Sequence modifications
A: 44 - 440 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 43 | - | expression tag |
| Arg 441 | - | expression tag |
| Ser 442 | - | expression tag |
| His 443 | - | expression tag |
| His 444 | - | expression tag |
| His 445 | - | expression tag |
| His 446 | - | expression tag |
| His 447 | - | expression tag |
| His 448 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45445.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 455.6 | |
| All* | Total formula weight | 45900.7 |
