3MSJ
Structure of bace (beta secretase) 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 | 411 | 45794.4 | 3 | UniProt (P56817) Pfam (PF00026) | HOMO SAPIENS (HUMAN) | BACE1, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, BETA-SITE APP CLEAVING ENZYME 1, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, ASPARTYL PROTEASE 2, ASP 2, ASP2 |
| 2 | D, L, U (A, B, C) | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol | non-polymer | 225.7 | 3 | Chemie (EV3) | |||
| 3 | E, F, G, H, I... (A, B, C) | GLYCEROL | non-polymer | 92.1 | 17 | Chemie (GOL) | |||
| 4 | X, Y, Z (A, B, C) | water | water | 18.0 | 646 | Chemie (HOH) |
Sequence modifications
A, B, C: -18 - 392 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys -5 | Arg 56 | engineered mutation |
| Thr -4 | Arg 57 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 137383.1 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 2242.6 | |
| All* | Total formula weight | 139625.7 |
