4D8C
Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a co-crystallization experiment
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 | 402 | 44777.3 | 3 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Aspartyl protease 2, ASP2, Asp 2, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Memapsin-2, Membrane-associated aspartic protease 2 |
| 2 | D, E, G (A, B, C) | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide | non-polymer | 590.7 | 3 | Chemie (BXD) | |||
| 3 | F, H (B, C) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | I, J, K (A, B, C) | water | water | 18.0 | 704 | Chemie (HOH) |
Sequence modifications
A, B, C: -13 - 375 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly -15 | - | expression tag |
| Pro -14 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 134332.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1964.1 | |
| All* | Total formula weight | 136296.1 |
