4FRJ
Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l
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 | 411 | 45822.4 | 1 | UniProt (P56817) Pfam (PF00026) | 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 | B, C (A) | IODIDE ION | non-polymer | 126.9 | 2 | Chemie (IOD) | |||
| 3 | D (A) | (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine | non-polymer | 410.8 | 1 | Chemie (DWB) | |||
| 4 | E (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | G (A) | water | water | 18.0 | 330 | Chemie (HOH) |
Sequence modifications
A: -18 - 392 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys -5 | Arg 56 | ENGINEERED MUTATION |
| Lys -4 | Arg 57 | ENGINEERED MUTATION |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45822.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 834.9 | |
| All* | Total formula weight | 46657.3 |
