4GMI
BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571
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) | (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione | non-polymer | 511.7 | 1 | Chemie (0XA) | |||
| 3 | C (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 4 | D (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | E (A) | water | water | 18.0 | 330 | Chemie (HOH) |
Sequence modifications
A: -4 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met -5 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43601.2 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 662.8 | |
| All* | Total formula weight | 44264.0 |
