3UDJ
Crystal Structure of BACE with Compound 5
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 | 404 | 45156.7 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens (human) | BACE, 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 | methyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate | non-polymer | 246.3 | 1 | Chemie (092) | |||
3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
4 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
5 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
6 | water | water | 18.0 | 239 | Chemie (HOH) |
Sequence modifications
A: -3 - 392 (UniProt: P56817)
PDB | External Database | Details |
---|---|---|
Arg 393 | - | EXPRESSION TAG |
Ser 394 | - | EXPRESSION TAG |
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 | 45156.7 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 541.9 | |
All* | Total formula weight | 45698.7 |