6OD6
Structure of BACE-1 in complex with Ligand 13
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Beta-secretase 1 | polymer | 432 | 48111.1 | 3 | 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 | D, E, G (A, B, C) | N-{3-[(3R)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | non-polymer | 388.4 | 3 | Chemie (M7D) | |||
| 3 | F (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | H, I, J (A, B, C) | water | water | 18.0 | 364 | Chemie (HOH) |
Sequence modifications
A, B, C: -39 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met -46 | - | expression tag |
| His -45 | - | expression tag |
| His -44 | - | expression tag |
| His -43 | - | expression tag |
| His -42 | - | expression tag |
| His -41 | - | expression tag |
| His -40 | - | expression tag |
| Thr -5 | Arg 56 | conflict |
| Thr -4 | Arg 57 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 144333.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1257.3 | |
| All* | Total formula weight | 145590.7 |
