7F1D
Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
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 | 416 | 46393.0 | 1 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (Human) | Aspartyl protease 2,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, C, D, E (A) | IODIDE ION | non-polymer | 126.9 | 4 | Chemie (IOD) | |||
| 3 | F (A) | N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | non-polymer | 434.5 | 1 | Chemie (0QQ) | |||
| 4 | G (A) | water | water | 18.0 | 266 | Chemie (HOH) |
Sequence modifications
A: -18 - 393 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly -22 | - | expression tag |
| Ser -21 | - | expression tag |
| His -20 | - | expression tag |
| Met -19 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46393.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 942.1 | |
| All* | Total formula weight | 47335.1 |
