4LXA
Crystal Structure of Human Beta Secretase in Complex with Compound 11a
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C | Beta-secretase 1 | polymer | 402 | 44777.3 | 3 | 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, B, C | (1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide | non-polymer | 584.6 | 3 | Chemie (1YS) | |||
| 3 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | C | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 5 | water | water | 18.0 | 513 | Chemie (HOH) |
Sequence modifications
A, B, C: 35 - 386 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly 33 | - | EXPRESSION TAG |
| Pro 34 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 134332.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1940.8 | |
| All* | Total formula weight | 136272.8 |
