4ZPF
BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
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 | 405 | 45122.8 | 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 (A) | 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one | non-polymer | 507.6 | 1 | Chemie (4QD) | |||
| 3 | C (A) | water | water | 18.0 | 270 | Chemie (HOH) |
Sequence modifications
A: 430 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Met 429 | - | initiating methionine |
| Ala 75 | Lys 136 | conflict |
| Ala 77 | Glu 138 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45122.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 507.6 | |
| All* | Total formula weight | 45630.4 |
