3UFL
Discovery of Pyrrolidine-based b-Secretase Inhibitors: Lead Advancement through Conformational Design for Maintenance of Ligand Binding Efficiency
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 | 389 | 43312.8 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | A | (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone | non-polymer | 450.6 | 1 | Chemie (508) | |||
| 3 | A | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | water | water | 18.0 | 308 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43312.8 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1019.1 | |
| All* | Total formula weight | 44331.9 |
