2Q11
Structure of BACE complexed to compound 1
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Beta-secretase 1 | polymer | 388 | 43311.9 | 3 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site APP cleaving enzyme 1 |
| 2 | D, E, F (A, B, C) | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | non-polymer | 418.5 | 3 | Chemie (XX4) | |||
| 3 | G, H, I (A, B, C) | water | water | 18.0 | 407 | Chemie (HOH) |
Sequence modifications
A, B, C: -2 - 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 | 3 |
| Total formula weight | 129935.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1255.6 | |
| All* | Total formula weight | 131191.2 |
