3SKG
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, D, E | Beta-secretase 1 | polymer | 455 | 50220.5 | 4 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | A, B, D, E | (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide | non-polymer | 660.8 | 4 | Chemie (PB8) | |||
3 | water | water | 18.0 | 106 | Chemie (HOH) |
Sequence modifications
A, B, D, E: -47 - 393 (UniProt: P56817)
PDB | External Database | Details |
---|---|---|
Met -61 | - | EXPRESSION TAG |
Ala -60 | - | EXPRESSION TAG |
Ser -59 | - | EXPRESSION TAG |
Met -58 | - | EXPRESSION TAG |
Thr -57 | - | EXPRESSION TAG |
Gly -56 | - | EXPRESSION TAG |
Gly -55 | - | EXPRESSION TAG |
Gln -54 | - | EXPRESSION TAG |
Gln -53 | - | EXPRESSION TAG |
Met -52 | - | EXPRESSION TAG |
Gly -51 | - | EXPRESSION TAG |
Arg -50 | - | EXPRESSION TAG |
Gly -49 | - | EXPRESSION TAG |
Ser -48 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 200882.0 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 2643.2 | |
All* | Total formula weight | 203525.1 |