4B1C
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
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 | 375 | 41911.3 | 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 (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 3 | C (A) | (2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine | non-polymer | 328.4 | 1 | Chemie (1B1) | |||
| 4 | D (A) | water | water | 18.0 | 260 | Chemie (HOH) |
Sequence modifications
A: 497 - 502 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys 497 | Arg 56 | conflict |
| Lys 498 | Arg 57 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 41911.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 406.5 | |
| All* | Total formula weight | 42317.9 |
