4RCD: Crystal Structure Of Bace1 In Complex With A 2-aminooxazoline 4- Azaxanthene Inhibitor

PDB ID: 4RCDDownload
MMDB ID: 126301
PDB Deposition Date: 2014/9/15
Updated in MMDB: 2015/01
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 4RCD: monomeric; determined by author and by software (PISA)
Molecular Components in 4RCD
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1
(Gene symbol: BACE1)
Molecule annotation
Chemicals and Non-standard biopolymers (6 molecules)
1
1
(5s)-7-(2-Fluoropyridin-3-Yl)-3-[(3-Methyloxetan-3-Yl)ethynyl]spiro[chromeno[2,3-B]pyridine-5,4'-[1,3]oxazol]-2'-Amine(5s)-7-(2-Fluoropyridin-3-Yl)-3-[(3-Methyloxetan-3-Yl)ethynyl]spiro[chromeno[2,3-B]pyridine-5,4'-[1,3]oxazol]-2'-Amine
2
3
Iodide IonIodide Ion
3
2
GlycerolGlycerol
* 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