5CLM
1,4-Oxazine 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 (A) | Beta-secretase 1 | polymer | 401 | 44628.1 | 1 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (Human) | Aspartyl protease 2,Asp 2,Beta-site amyloid precursor protein cleaving enzyme 1,Beta-site APP cleaving enzyme 1,Memapsin-2,Membrane-associated aspartic protease 2 |
| 2 | B (A) | N-{3-[(3R)-5-amino-3-methyl-3,6-dihydro-2H-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide | non-polymer | 344.8 | 1 | Chemie (52K) | |||
| 3 | C, D, E (A) | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
| 4 | F (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | G (A) | water | water | 18.0 | 75 | Chemie (HOH) |
Sequence modifications
A: -15 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Thr -5 | Arg 56 | engineered mutation |
| Thr -4 | Arg 57 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 44628.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 761.0 | |
| All* | Total formula weight | 45389.0 |
