4J1C
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-5,5-difluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Beta-secretase 1 | polymer | 409 | 45554.0 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | A | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
4 | A | N-{3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | non-polymer | 407.3 | 1 | Chemie (1HO) | |||
5 | water | water | 18.0 | 253 | 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 | 531.4 | |
All* | Total formula weight | 46085.4 |