6Y6S

Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 6.8

Summary for 6Y6S

Entry DOI	10.2210/pdb6y6s/pdb
Descriptor	Galactocerebrosidase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol, ... (7 entities in total)
Functional Keywords	inhibitor, hydrolase
Biological source	Mus musculus (House mouse)
Total number of polymer chains	1
Total formula weight	76379.14
Authors	Deane, J.E.,McLoughlin, J. (deposition date: 2020-02-27, release date: 2021-01-13, Last modification date: 2024-10-16)
Primary citation	Viuff, A.,Salamone, S.,McLoughlin, J.,Deane, J.E.,Jensen, H.H. The Bicyclic Form of galacto -Noeurostegine Is a Potent Inhibitor of beta-Galactocerebrosidase. Acs Med.Chem.Lett., 12:56-59, 2021 Cited by PubMed Abstract: Competitive inhibitors of galactocerebrosidase (GALC) could be candidates for pharmacological chaperone therapy of patients with Krabbe disease. The known and selective nortropane-type iminosugar -noeurostegine has been found to competitively inhibit GALC with = 7 μM at pH 4.6, which is 330-fold more potent than the analogous deoxynoeurostegine. It was shown through X-ray protein crystallography that -noeurostegine binds to the active site of GALC in its bicyclic form. PubMed: 33488964 DOI: 10.1021/acsmedchemlett.0c00377 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation