2F3E
Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Beta-secretase 1 | polymer | 402 | 44777.3 | 3 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein cleaving enzyme 1, Aspartyl protease 2, Asp 2, ASP2, Membrane-associated aspartic protease 2, Memapsin-2 |
| 2 | D, E, F (A, B, C) | {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | non-polymer | 673.9 | 3 | Chemie (AXQ) | |||
| 3 | G, H, I (A, B, C) | water | water | 18.0 | 448 | Chemie (HOH) |
Sequence modifications
A, B, C: 35 - 386 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly 33 | - | cloning artifact |
| Pro 34 | - | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 134332.0 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 2021.8 | |
| All* | Total formula weight | 136353.8 |
