2IQG
Crystal Structure of Hydroxyethyl Secondary Amine-based Peptidomimetic Inhibitor of Human Beta-Secretase (BACE)
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 | 406 | 45445.1 | 1 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | B (A) | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | non-polymer | 677.6 | 1 | Chemie (F2I) | |||
| 3 | C (A) | water | water | 18.0 | 370 | Chemie (HOH) |
Sequence modifications
A: 59 - 392 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 58 | - | cloning artifact |
| Arg 393 | - | cloning artifact |
| Ser 394 | - | cloning artifact |
| His 395 | - | expression tag |
| His 396 | - | expression tag |
| His 397 | - | expression tag |
| His 398 | - | expression tag |
| His 399 | - | expression tag |
| His 400 | - | 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 | 677.6 | |
| All* | Total formula weight | 46122.7 |
