3EXO
Crystal structure of BACE1 bound to inhibitor
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 | 413 | 45994.6 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | A | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
3 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
4 | A | N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide | non-polymer | 354.4 | 1 | Chemie (5MS) | |||
5 | water | water | 18.0 | 417 | Chemie (HOH) |
Sequence modifications
A: 430 - 393 (UniProt: P56817)
PDB | External Database | Details |
---|---|---|
Met 429 | - | expression tag |
Ala 75 | Lys 136 | engineered mutation |
Ala 77 | Glu 138 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 45994.6 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 734.7 | |
All* | Total formula weight | 46729.3 |