2ZJJ
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
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 | 45124.8 | 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 | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide | non-polymer | 297.4 | 1 | Chemie (F1J) | |||
| 3 | water | water | 18.0 | 169 | 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 |
| Cys 231 | Thr 292 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45124.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 297.4 | |
| All* | Total formula weight | 45422.2 |
