4FSL
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-DB-MUT) complex with N-(N-(4- acetamido-3-chloro-5-methylbenzyl)carbamimidoyl)-3-(4- methoxyphenyl)-5-methyl-4-isothiazolecarboxamide
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, D (A, B, D, E) | Beta-secretase 1 | polymer | 412 | 45923.5 | 4 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Aspartyl protease 2, ASP2, Asp 2, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Memapsin-2, Membrane-associated aspartic protease 2 |
| 2 | E, I, M, Q (A, B, D, E) | N-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide | non-polymer | 486.0 | 4 | Chemie (0VB) | |||
| 3 | F, G, H, J, K... (A, B, D, E) | IODIDE ION | non-polymer | 126.9 | 12 | Chemie (IOD) | |||
| 4 | U, V, W, X (A, B, D, E) | water | water | 18.0 | 819 | Chemie (HOH) |
Sequence modifications
A, B, D, E: 30 - 440 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys 43 | Arg 56 | conflict |
| Lys 44 | Arg 57 | conflict |
| Thr 441 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 183694.2 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 3466.8 | |
| All* | Total formula weight | 187161.0 |
