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Titlebeta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 140, Page 5914-5924, Year 2018
Publish dateSep 14, 2016 (structure data deposition date)
AuthorsZheng, J. / Chen, L. / Skinner, O.S. / Ysselstein, D. / Remis, J. / Lansbury, P. / Skerlj, R. / Mrosek, M. / Heunisch, U. / Krapp, S. ...Zheng, J. / Chen, L. / Skinner, O.S. / Ysselstein, D. / Remis, J. / Lansbury, P. / Skerlj, R. / Mrosek, M. / Heunisch, U. / Krapp, S. / Charrow, J. / Schwake, M. / Kelleher, N.L. / Silverman, R.B. / Krainc, D.
External linksJ. Am. Chem. Soc. / PubMed:29676907
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-5lvx:
Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-79B:
11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid

ChemComp-PO4:
PHOSPHATE ION

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

ChemComp-7E4:
11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / GCASE / GLYCOPROTEIN / GLYCOSIDASE / GLUCOSYLCERAMIDASE / PROT / PROTEROS BIOSTRUCTURES GMBH

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