3S7M
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Beta-secretase 1 | polymer | 415 | 46441.0 | 1 | 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 | (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one | non-polymer | 348.4 | 1 | Chemie (532) | WAY-253284 | ||
| 3 | water | water | 18.0 | 147 | Chemie (HOH) |
Sequence modifications
A: 47 - 455 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| His 456 | - | EXPRESSION TAG |
| His 457 | - | EXPRESSION TAG |
| His 458 | - | EXPRESSION TAG |
| His 459 | - | EXPRESSION TAG |
| His 460 | - | EXPRESSION TAG |
| His 461 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46441.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 348.4 | |
| All* | Total formula weight | 46789.4 |
