2G94
Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
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, D (A, B, C, D) | Beta-secretase 1 | polymer | 389 | 43312.8 | 4 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein cleaving enzyme 1, Aspartyl protease 2, Asp 2, ASP2, Membrane-associated aspartic protease 2, Memapsin-2 |
| 2 | E, F, G, H (A, B, C, D) | N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE | non-polymer | 658.9 | 4 | Chemie (ZPQ) | |||
| 3 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 853 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 173251.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2635.4 | |
| All* | Total formula weight | 175886.6 |
