The unique binding mode of cellulosomal CBM4 from Clostridium thermocellum cellobiohydrolase A

Journal of Molecular Biology
Markus AlahuhtaVladimir V Lunin

Abstract

The crystal structure of the carbohydrate-binding module (CBM) 4 Ig fused domain from the cellulosomal cellulase cellobiohydrolase A (CbhA) of Clostridium thermocellum was solved in complex with cellobiose at 2.11 A resolution. This is the first cellulosomal CBM4 crystal structure reported to date. It is similar to the previously solved noncellulosomal soluble oligosaccharide-binding CBM4 structures. However, this new structure possesses a significant feature-a binding site peptide loop with a tryptophan (Trp118) residing midway in the loop. Based on sequence alignment, this structural feature might be common to all cellulosomal clostridial CBM4 modules. Our results indicate that C. thermocellum CbhA CBM4 also has an extended binding pocket that can optimally bind to cellodextrins containing five or more sugar units. Molecular dynamics simulations and experimental binding studies with the Trp118Ala mutant suggest that Trp118 contributes to the binding and, possibly, the orientation of the module to soluble cellodextrins. Furthermore, the binding cleft aromatic residues Trp68 and Tyr110 play a crucial role in binding to bacterial microcrystalline cellulose (BMCC), amorphous cellulose, and soluble oligodextrins. Binding to BMCC i...Continue Reading

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Citations

Feb 22, 2012·Acta Crystallographica. Section D, Biological Crystallography·Roman BruneckyVladimir V Lunin
May 6, 2011·Acta Crystallographica. Section F, Structural Biology and Crystallization Communications·Markus AlahuhtaVladimir V Lunin
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Nov 15, 2020·Applied and Environmental Microbiology·Haiyang WuClaire Dumon

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