3INH
Bace1 with the aminohydantoin Compound R-58
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 | 415 | 46441.0 | 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) | (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one | non-polymer | 445.4 | 1 | Chemie (569) | |||
| 3 | C (A) | water | water | 18.0 | 79 | 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 | 445.4 | |
| All* | Total formula weight | 46886.4 |
