4WTU: Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22

PDB ID: 4WTUDownload
MMDB ID: 127510
PDB Deposition Date: 2014/10/30
Updated in MMDB: 2017/12
Experimental Method:
x-ray diffraction
Resolution: 1.85  Å
Source Organism:
Similar Structures:
Biological Unit for 4WTU: monomeric; determined by author and by software (PISA)
Molecular Components in 4WTU
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1
(Gene symbol: BACE1)
Molecule annotation
Chemicals and Non-standard biopolymers (7 molecules)
1
4
IODIDE IONIODIDE ION
2
2
GLYCEROLGLYCEROL
3
1
(5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine(5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303