3RIL: The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease

PDB ID: 3RILDownload
MMDB ID: 97921
PDB Deposition Date: 2011/4/13
Updated in MMDB: 2012/12
Experimental Method:
x-ray diffraction
Resolution: 2.4  Å
Source Organism:
Similar Structures:
Biological Unit for 3RIL: tetrameric; determined by author and by software (PISA)
Molecular Components in 3RIL
Label Count Molecule
Proteins (4 molecules)
4
Glucosylceramidase
(Gene symbol: GBA)
Molecule annotation
Chemicals and Non-standard biopolymers (44 molecules)
1
36
SULFATE IONSULFATE ION
2
4
N-ACETYL-D-GLUCOSAMINEN-ACETYL-D-GLUCOSAMINE
3
4
(3S,4R,5R,6S)-azepane-3,4,5,6-tetrol(3S,4R,5R,6S)-azepane-3,4,5,6-tetrol
* 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