2Q15
Structure of BACE complexed to compound 3a
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 | 385 | 42978.5 | 1 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid protein cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | B (A) | (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE | non-polymer | 502.7 | 1 | Chemie (3MR) | |||
| 3 | C (A) | water | water | 18.0 | 157 | Chemie (HOH) |
Sequence modifications
A: 1 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gln 92 | Asn 153 | engineered mutation |
| Gln 111 | Asn 172 | engineered mutation |
| Gln 162 | Asn 223 | engineered mutation |
| Gln 293 | Asn 354 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42978.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 502.7 | |
| All* | Total formula weight | 43481.2 |
