4DUS
Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
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, E, F... (A) | IODIDE ION | non-polymer | 126.9 | 7 | Chemie (IOD) | |||
| 3 | I, J (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 4 | K (A) | N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide | non-polymer | 483.6 | 1 | Chemie (0MP) | |||
| 5 | L (A) | water | water | 18.0 | 43 | Chemie (HOH) |
Sequence modifications
A: -18 - 392 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys -5 | Arg 56 | conflict |
| Lys -4 | Arg 57 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45822.4 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1556.1 | |
| All* | Total formula weight | 47378.6 |
