4XXS: Crystal Structure Of Bace1 With A Pyrazole-substituted Tetrahydropyran Thioamidine

PDB ID: 4XXSDownload
MMDB ID: 128275
PDB Deposition Date: 2015/1/30
Updated in MMDB: 2015/04
Experimental Method:
x-ray diffraction
Resolution: 1.86  Å
Source Organism:
Similar Structures:
Biological Unit for 4XXS: monomeric; determined by author and by software (PISA)
Molecular Components in 4XXS
Label Count Molecule
Protein (1 molecule)
1
Beta-secretase 1
(Gene symbol: BACE1)
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
1
(4ar,6r,8as)-8a-(2,4-Difluorophenyl)-6-(1-Methyl-1h-Pyrazol-4-Yl)-4,4a,5,6,8,8a-Hexahydropyrano[3,4-D][1,3]thiazin-2-Amine(4ar,6r,8as)-8a-(2,4-Difluorophenyl)-6-(1-Methyl-1h-Pyrazol-4-Yl)-4,4a,5,6,8,8a-Hexahydropyrano[3,4-D][1,3]thiazin-2-Amine
2
2
Iodide IonIodide Ion
3
2
GlycerolGlycerol
4
3
Dimethyl SulfoxideDimethyl Sulfoxide
* 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