3FKT
Crystal Structure of Human Beta Secretase Complexed with Spiropiperdine Iminohydantoin Inhibitor
Replaces: 3E3WEntity
| 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 | 405 | 45122.8 | 1 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | B (A) | N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide | non-polymer | 491.6 | 1 | Chemie (SII) | |||
| 3 | C (A) | water | water | 18.0 | 342 | Chemie (HOH) |
Sequence modifications
A: 2 - 405 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Ala 95 | Lys 136 | engineered mutation |
| Ala 97 | 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 | 491.6 | |
| All* | Total formula weight | 45614.3 |
