4L7J
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
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 | 409 | 45603.2 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens (human) | 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 | 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile | non-polymer | 355.3 | 1 | Chemie (1W2) | |||
3 | A | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
4 | water | water | 18.0 | 241 | Chemie (HOH) |
Sequence modifications
A: -4 - 392 (UniProt: P56817)
PDB | External Database | Details |
---|---|---|
Met -7 | - | expression tag |
Gly -6 | - | expression tag |
Ser -5 | - | expression tag |
Gly 393 | - | expression tag |
Asn 394 | - | expression tag |
Ser 395 | - | expression tag |
His 396 | - | expression tag |
His 397 | - | expression tag |
His 398 | - | expression tag |
His 399 | - | expression tag |
His 400 | - | expression tag |
His 401 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 45603.2 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 414.4 | |
All* | Total formula weight | 46017.6 |