2B8L
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 (A) | Beta-secretase 1 | polymer | 405 | 45122.8 | 1 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein cleaving enzyme 1, Aspartyl protease 2, Asp 2, ASP2, Membrane-associated aspartic protease 2, Memapsin-2 |
| 2 | B (A) | N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | non-polymer | 578.7 | 1 | Chemie (5HA) | |||
| 3 | C (A) | water | water | 18.0 | 201 | 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 | 578.7 | |
| All* | Total formula weight | 45701.5 |
