3VV6
Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one
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 | 416 | 46393.0 | 1 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Aspartyl protease 2, ASP2, 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, C, D, E, F (A) | IODIDE ION | non-polymer | 126.9 | 5 | Chemie (IOD) | |||
| 3 | G, H, I, J (A) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 4 | K (A) | 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one | non-polymer | 241.3 | 1 | Chemie (B00) | |||
| 5 | L (A) | water | water | 18.0 | 210 | Chemie (HOH) |
Sequence modifications
A: -18 - 393 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly -22 | - | EXPRESSION TAG |
| Ser -21 | - | EXPRESSION TAG |
| His -20 | - | EXPRESSION TAG |
| Met -19 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46393.0 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1244.2 | |
| All* | Total formula weight | 47637.2 |
