4BEK
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
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 | 409 | 45554.0 | 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, MEM APSIN-2, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, BETA-SECRETASE |
| 2 | B (A) | (4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine | non-polymer | 236.3 | 1 | Chemie (XK0) | |||
| 3 | C, D (A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | F (A) | water | water | 18.0 | 127 | Chemie (HOH) |
Sequence modifications
A: 46 - 454 (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 | 45554.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 360.4 | |
| All* | Total formula weight | 45914.5 |
