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 | Beta-secretase 1 | polymer | 401 | 44628.1 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | 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 | A | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
4 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
5 | 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 |