5MCO
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE
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 | 409 | 45554.0 | 1 | UniProt (P56817) Pfam (PF00026) | 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 | B (B) | BACE-1 EXOSITE PEPTIDE | polymer | 13 | 1409.7 | 1 | Homo sapiens | ||
| 3 | C (A) | N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | non-polymer | 658.8 | 1 | Chemie (BSD) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 197 | Chemie (HOH) |
Sequence modifications
A: 46 - 454 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Ala 307 | Lys 307 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 46963.7 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 658.8 | |
| All* | Total formula weight | 47622.5 |
