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Structure paper

TitleBinding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Journal, issue, pagesBiochemistry, Vol. 50, Page 10647-10657, Year 2011
Publish dateApr 13, 2011 (structure data deposition date)
AuthorsOrwig, S.D. / Tan, Y.L. / Grimster, N.P. / Yu, Z. / Powers, E.T. / Kelly, J.W. / Lieberman, R.L.
External linksBiochemistry / PubMed:22047104
MethodsX-ray diffraction
Resolution2.4 - 2.48 Å
Structure data

PDB-3rik:
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
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

PDB-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
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-3RI:
(3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol

ChemComp-HOH:
WATER

ChemComp-3RK:
(3S,4R,5R,6S)-azepane-3,4,5,6-tetrol

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / TIM-Barrel / Lysosomal Hydrolase / Hydrolase / Glycosylation / Lysosome / HYDROLASE-HYDROLASE INHIBITOR complex

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