4AZY
Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10)
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 | 411 | 45822.4 | 1 | UniProt (P56817) Pfam (PF00026) | HOMO SAPIENS (HUMAN) | BACE1, 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 (A) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 3 | E (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | F (A) | (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine | non-polymer | 467.4 | 1 | Chemie (7F3) | |||
| 5 | G (A) | water | water | 18.0 | 402 | Chemie (HOH) |
Sequence modifications
A: 484 - 502 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys 497 | Arg 56 | engineered mutation |
| Lys 498 | Arg 57 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45822.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 667.5 | |
| All* | Total formula weight | 46490.0 |
