4D85
Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151
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 | 408 | 45435.0 | 1 | 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 | B (A) | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide | non-polymer | 564.7 | 1 | Chemie (0GU) | |||
| 3 | C (A) | IODIDE ION | non-polymer | 126.9 | 1 | Chemie (IOD) | |||
| 4 | D (A) | water | water | 18.0 | 96 | Chemie (HOH) |
Sequence modifications
A: -11 - 379 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly -13 | - | expression tag |
| Pro -12 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45435.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 691.6 | |
| All* | Total formula weight | 46126.6 |
