6JSG
Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-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 (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 (A) | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
| 3 | E (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | F, G (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | H (A) | N-[3-[(4S)-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide | non-polymer | 378.9 | 1 | Chemie (C6U) | |||
| 6 | I (A) | water | water | 18.0 | 184 | Chemie (HOH) |
Sequence modifications
A: 6 - 417 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Gly 2 | - | expression tag |
| Ser 3 | - | expression tag |
| His 4 | - | expression tag |
| Met 5 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46393.0 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 966.7 | |
| All* | Total formula weight | 47359.8 |
