6WNY
Crystal structure of BACE1 in complex with (Z)-fluoro-olefin containing compound 15
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Beta-secretase 1 | polymer | 411 | 45822.4 | 1 | UniProt (P56817) Pfam (PF00026) In PDB | 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 | A | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile | non-polymer | 495.5 | 1 | Chemie (U64) | |||
| 3 | A | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
| 4 | water | water | 18.0 | 418 | Chemie (HOH) |
Sequence modifications
A: 43 - 453 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Lys 56 | Arg 56 | conflict |
| Lys 57 | 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 | 4 |
| Total formula weight | 876.3 | |
| All* | Total formula weight | 46698.7 |
