PDBsum entry 6y6t

Hydrolase

PDB id: 6y6t

Contents

Protein chain

641 a.a.

Ligands

NAG-NAG ×3

ODW

NAG

Metals

_NI

_CA

Waters ×247

References listed in PDB file

Key reference

• Title: The bicyclic form of galacto-Noeurostegine is a potent inhibitor of β-Galactocerebrosidase.
• Authors: A.Viuff, S.Salamone, J.Mcloughlin, J.E.Deane, H.H.Jensen.
• Ref.: ACS Med Chem Lett, 2021, 12, 56-59. [DOI no: 10.1021/acsmedchemlett.0c00377]
• PubMed id: 33488964

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 galacto-noeurostegine has been found to competitively inhibit GALC with K_i = 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 galacto-noeurostegine binds to the active site of GALC in its bicyclic form.