3DM6
Beta-secretase 1 complexed with statine-based inhibitor
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 (A, B, C) | Beta-secretase 1 | polymer | 406 | 45396.1 | 3 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (Human) | Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | D, F, H (A, B, C) | 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid | non-polymer | 881.9 | 3 | Chemie (757) | |||
| 3 | E, G, I (A, B, C) | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 3 | Chemie (IPA) | |||
| 4 | J, K, L (A, B, C) | water | water | 18.0 | 32 | Chemie (HOH) |
Sequence modifications
A, B, C: 29 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 28 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 136188.2 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2826.0 | |
| All* | Total formula weight | 139014.2 |
