2QZK
Crystal structure of human Beta Secretase complexed with I21
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 | 405 | 45122.8 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens (human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid protein cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | A | 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile | non-polymer | 525.6 | 1 | Chemie (I21) | |||
| 3 | water | water | 18.0 | 249 | Chemie (HOH) |
Sequence modifications
A: -18 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | expression tag |
| Ala 75 | Lys 136 | engineered mutation |
| Ala 77 | Glu 138 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45122.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 525.6 | |
| All* | Total formula weight | 45648.3 |
