3DUY
Crystal structure of human beta-secretase in complex with NVP-AFJ144
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 | 402 | 44777.3 | 3 | UniProt (P56817) Pfam (PF00026) In PDB | Homo sapiens | 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, B, C | (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide | non-polymer | 487.7 | 3 | Chemie (AFJ) | |||
| 3 | water | water | 18.0 | 750 | Chemie (HOH) |
Sequence modifications
A, B, C: 35 - 386 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly 33 | - | expression tag |
| Pro 34 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 134332.0 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1463.2 | |
| All* | Total formula weight | 135795.2 |
