4D88
Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490
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 | 402 | 44777.3 | 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) | (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide | non-polymer | 546.6 | 1 | Chemie (BXQ) | |||
| 3 | C (A) | water | water | 18.0 | 548 | Chemie (HOH) |
Sequence modifications
A: -13 - 373 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly -15 | - | expression tag |
| Pro -14 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 44777.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 546.6 | |
| All* | Total formula weight | 45324.0 |
