4DPF
BACE-1 in complex with a HEA-macrocyclic type inhibitor
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 | 391 | 43601.2 | 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) | N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | non-polymer | 648.8 | 1 | Chemie (0LG) | |||
| 3 | C (A) | water | water | 18.0 | 215 | Chemie (HOH) |
Sequence modifications
A: 44 - 433 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 43 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43601.2 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 648.8 | |
| All* | Total formula weight | 44250.0 |
