2OHR
X-ray crystal structure of beta secretase complexed with compound 6a
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 | 402 | 44841.4 | 1 | UniProt (P56817) Pfam (PF00026) | 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 | B, C (A) | IODIDE ION | non-polymer | 126.9 | 2 | Chemie (IOD) | |||
| 3 | D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | E (A) | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE | non-polymer | 276.3 | 1 | Chemie (8IP) | |||
| 5 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | G (A) | water | water | 18.0 | 279 | Chemie (HOH) |
Sequence modifications
A: -16 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys -5 | Arg 56 | engineered mutation |
| Lys -4 | Arg 57 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 44841.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 700.4 | |
| All* | Total formula weight | 45541.8 |
