4KE1
Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 19
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 | 411 | 45822.4 | 1 | 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 | B, C, D (A) | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
| 3 | E (A) | (12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione | non-polymer | 555.7 | 1 | Chemie (1R6) | |||
| 4 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | G (A) | water | water | 18.0 | 231 | Chemie (HOH) |
Sequence modifications
A: -18 - 392 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys -5 | Arg 56 | ENGINEERED MUTATION |
| Lys -4 | Arg 57 | ENGINEERED MUTATION |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45822.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1028.5 | |
| All* | Total formula weight | 46851.0 |
