3CKP
Crystal structure of BACE-1 in complex with inhibitor
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 | 412 | 45923.5 | 3 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (Human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | D, E, F, G, H... (A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 9 | Chemie (CL) | |||
| 3 | I, L, O (A, B, C) | (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide | non-polymer | 545.7 | 3 | Chemie (012) | |||
| 4 | P, Q, R (A, B, C) | water | water | 18.0 | 184 | Chemie (HOH) |
Sequence modifications
A, B, C: -19 - 393 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys -6 | Arg 56 | engineered mutation |
| Lys -5 | Arg 57 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 137770.6 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1956.1 | |
| All* | Total formula weight | 139726.7 |
