6JSF
Crystal Structure of BACE1 in complex with N-(3-((4S,5S)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-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, E, F... (A) | IODIDE ION | non-polymer | 126.9 | 7 | Chemie (IOD) | |||
| 3 | I, J (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 4 | K (A) | N-[3-[(4S,5S)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide | non-polymer | 469.5 | 1 | Chemie (C7X) | |||
| 5 | L (A) | water | water | 18.0 | 154 | 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 | 10 |
| Total formula weight | 1514.1 | |
| All* | Total formula weight | 47907.1 |
