2IRZ
Crystal structure of human Beta-secretase complexed with inhibitor
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 | 405 | 45122.8 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens (human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | A | 3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE | non-polymer | 551.6 | 1 | Chemie (I02) | |||
| 3 | water | water | 18.0 | 294 | Chemie (HOH) |
Sequence modifications
A: 30 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 29 | - | initiating methionine |
| Ala 75 | Lys 136 | engineered mutation |
| Ala 77 | Glu 138 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45122.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 551.6 | |
| All* | Total formula weight | 45674.4 |
