2ZJM
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
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 | 405 | 45122.8 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens (Human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
2 | A | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide | non-polymer | 526.0 | 1 | Chemie (F1M) | |||
3 | water | water | 18.0 | 261 | Chemie (HOH) |
Sequence modifications
A: 430 - 385 (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 | 45122.8 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 526.0 | |
All* | Total formula weight | 45648.8 |