4FM8
Crystal Structure of BACE with Compound 12a
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 | 404 | 45156.7 | 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 (A) | (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide | non-polymer | 461.6 | 1 | Chemie (0UQ) | |||
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | E (A) | water | water | 18.0 | 240 | Chemie (HOH) |
Sequence modifications
A: -3 - 392 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Arg 393 | - | expression tag |
| Ser 394 | - | expression tag |
| His 395 | - | expression tag |
| His 396 | - | expression tag |
| His 397 | - | expression tag |
| His 398 | - | expression tag |
| His 399 | - | expression tag |
| His 400 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45156.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 589.1 | |
| All* | Total formula weight | 45745.8 |
