5EZZ
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine
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 | 390 | 43411.9 | 1 | 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 | B (A) | (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine | non-polymer | 429.8 | 1 | Chemie (5T6) | |||
| 3 | C (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | D, E (A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 5 | F (A) | water | water | 18.0 | 262 | Chemie (HOH) |
Sequence modifications
A: 57 - 446 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Ala 307 | Lys 307 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43411.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 554.0 | |
| All* | Total formula weight | 43965.9 |
