3IXJ
Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor
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 | Beta-secretase 1 | polymer | 388 | 43255.8 | 3 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens (human) | Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | A, B, C | N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE | non-polymer | 852.0 | 3 | Chemie (586) | |||
| 3 | A, B, C | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | water | water | 18.0 | 241 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 129767.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2844.1 | |
| All* | Total formula weight | 132611.3 |
