5I3X
Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Beta-secretase 1 | polymer | 411 | 45822.4 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | A | N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide | non-polymer | 590.7 | 1 | Chemie (68J) | |||
3 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
4 | water | water | 18.0 | 433 | 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 | 2 |
Total formula weight | 682.8 | |
All* | Total formula weight | 46505.3 |