7D2X
Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Beta-secretase 1 | polymer | 416 | 46393.0 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | A | IODIDE ION | non-polymer | 126.9 | 2 | Chemie (IOD) | |||
3 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
4 | A | N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide | non-polymer | 377.4 | 1 | Chemie (GTU) | |||
5 | water | water | 18.0 | 175 | 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 | 815.4 | |
All* | Total formula weight | 47208.4 |