3IVH
Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
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 | 406 | 45445.1 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens (human) | Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
2 | A | N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide | non-polymer | 472.6 | 1 | Chemie (1LI) | |||
3 | water | water | 18.0 | 249 | Chemie (HOH) |
Sequence modifications
A: 57 - 453 (UniProt: P56817)
PDB | External Database | Details |
---|---|---|
Met 56 | - | expression tag |
Arg 454 | - | expression tag |
Ser 455 | - | expression tag |
His 456 | - | expression tag |
His 457 | - | expression tag |
His 458 | - | expression tag |
His 459 | - | expression tag |
His 460 | - | expression tag |
His 461 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 45445.1 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 472.6 | |
All* | Total formula weight | 45917.7 |