4I0H
SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors.
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 | 406 | 45445.1 | 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 | (2R)-5-{[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid | non-polymer | 560.7 | 3 | Chemie (1BL) | |||
| 3 | water | water | 18.0 | 299 | Chemie (HOH) |
Sequence modifications
A, B, C: 2 - 398 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | EXPRESSION TAG |
| Arg 399 | - | EXPRESSION TAG |
| Ser 400 | - | EXPRESSION TAG |
| His 401 | - | EXPRESSION TAG |
| His 402 | - | EXPRESSION TAG |
| His 403 | - | EXPRESSION TAG |
| His 404 | - | EXPRESSION TAG |
| His 405 | - | EXPRESSION TAG |
| His 406 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 136335.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1682.0 | |
| All* | Total formula weight | 138017.4 |
