6YOZ

HiCel7B labelled with b-1,4-glucosyl cyclophellitol

This is a non-PDB format compatible entry.

Summary for 6YOZ

• Entry DOI: 10.2210/pdb6yoz/pdb
• Descriptor: Endoglucanase 1, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... (8 entities in total)
• Functional Keywords: cellulase, glycosidase, cyclophellitol, gh7, hydrolase
• Biological source: Humicola insolens (Soft-rot fungus)
• Total number of polymer chains: 2
• Total formula weight: 91859.32

Authors

McGregor, N.G.S.,Davies, G.J. (deposition date: 2020-04-15, release date: 2020-09-16, Last modification date: 2024-11-13)

Primary citation

de Boer, C.,McGregor, N.G.S.,Peterse, E.,Schroder, S.P.,Florea, B.I.,Jiang, J.,Reijngoud, J.,Ram, A.F.J.,van Wezel, G.P.,van der Marel, G.A.,Codee, J.D.C.,Overkleeft, H.S.,Davies, G.J.
Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1:148-155, 2020

PubMed Abstract: Cellulases and related β-1,4-glucanases are essential components of lignocellulose-degrading enzyme mixtures. The detection of β-1,4-glucanase activity typically relies on monitoring the breakdown of purified lignocellulose-derived substrates or synthetic chromogenic substrates, limiting the activities which can be detected and complicating the tracing of activity back to specific components within complex enzyme mixtures. As a tool for the rapid detection and identification of β-1,4-glucanases, a series of glycosylated cyclophellitol inhibitors mimicking β-1,4-glucan oligosaccharides have been synthesised. These compounds are highly efficient inhibitors of HiCel7B, a well-known GH7 -β-1,4-glucanase. An elaborated activity-based probe facilitated the direct detection and identification of β-1,4-glucanases within a complex fungal secretome without any detectable cross-reactivity with β-d-glucosidases. These probes and inhibitors add valuable new capacity to the growing toolbox of cyclophellitol-derived probes for the activity-based profiling of biomass-degrading enzymes.

PubMed: 34458755
DOI: 10.1039/d0cb00045k

Experimental method

X-RAY DIFFRACTION (1.88 Å)