Structural insights of a cellobiose dehydrogenase enzyme from the basidiomycetes fungus Termitomyces clypeatus

Banerjee, Sanchita; Roy, Ankit; Madhusudhan, M.S.; Bairagya, Hridoy R.; Roy, Amit

doi:10.1016/j.compbiolchem.2019.05.013

Cited by 13 publications

(2 citation statements)

References 54 publications

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“…When the IS increases from 0.05 to 0.1 M, the RMSD values increase (from 3.69 to 5.91 Å for Na + and from 2.24 to 2.64 Å for Ca 2+ ) too, which indicates that a high IS is not conducive to maintaining the native conformational stability of Mt CDH, especially for high IS of Na + . The fluctuated region occurs in the carbohydrate-binding module (residues 772–807) at the C-terminus of Mt CDH when the IS of Na + is 0.1 M (Figure S8f), which may have a bad effect on its affinity with the substrate molecule. , An experimental study also found that increasing the IS of KCl or CaCl 2 to 500 mM decreased the residual stability to a significantly lower extent for Mt CDH immobilized on the PEI-modified electrodes, which is in line with our observation. Under a high SCD and a low IS, the RMSD is less than 2.0 Å.…”

Section: Resultssupporting

confidence: 89%

“…The fluctuated region occurs in the carbohydrate-binding module (residues 772−807) at the C-terminus of MtCDH when the IS of Na + is 0.1 M (Figure S8f), which may have a bad effect on its affinity with the substrate molecule. 9,55 An experimental study 17 also found that increasing the IS of KCl or CaCl 2 to 500 mM decreased the residual stability to a significantly lower extent for MtCDH immobilized on the PEI-modified electrodes, which is in line with our observation. Under a high SCD and a low IS, the RMSD is less than 2.0 Å.…”

Section: Conformation Stabilitysupporting

confidence: 87%

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Molecular Insights of Cellobiose Dehydrogenase Adsorption on Self-Assembled Monolayers

Jian

2023

Langmuir

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Cellobiose dehydrogenase (CDH) is capable of direct electron transfer (DET) on electrodes and is a promising redox enzyme for bioelectrochemical applications. Its unique two-domain structure makes the function of CDH adsorbed on the surface of the electrode deeply affected by the external environment, such as ion species, strength, pH, and surface charge density. To date, however, the exact mechanism of how the external environment tailors the structure and dynamics of CDH adsorbed on the electrode surface still remains poorly understood. Here, multiscale simulations were performed to look for insight into the effect of Na+ and Ca2+ ions on the activation of CDH on oppositely charged self-assembled monolayer (NH2-SAM and COOH-SAM) surfaces with different surface charge densities (SCDs). Both Na+ and Ca2+ can promote CDH conformation switch from the open state to the closed state, while the promotion effect of Ca2+ is stronger than that of Na+ at the same conditions. However, the high ionic strength (IS) of Ca2+ renders the cytochrome (CYT) domain of CDH away from the NH2-SAM with low SCD. In contrast, whatever the IS, the NH2-SAM surface with high SCD can not only enhance the CYT–surface interaction but also achieve a closed-state conformation due to a similar role of Ca2+. Overall, this study gains molecular-level insights into the role of ion species and surface charge in modulating the structure and conformation of CDH on the SAM surface, thereby tailoring its activity.

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Section: Resultssupporting

confidence: 89%

Section: Conformation Stabilitysupporting

confidence: 87%

Molecular Insights of Cellobiose Dehydrogenase Adsorption on Self-Assembled Monolayers

Jian

2023

Langmuir

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Fungi of Nepal

Aryal

2024

Plant and Vegetation

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Heterogeneous porous biochar-supported nano NiFe2O4 for efficient removal of hazardous antibiotic from pharmaceutical wastewater

Azzam,

Tokhy,

Dars

et al. 2023

Environ Sci Pollut Res

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Due to the dual issues of antibiotic resistance and bioaccumulation toxicity, antibiotics are ubiquitously present in aquatic environments, and this is causing serious concern. Herein, novel nickel ferrite (NiFe2O4) nanoparticles were successfully loaded onto activated biochar (BC) derived from banana peel (BP) to obtain magnetic nanocomposite (BC-NiFe2O4) as an effective biosorbent for the ciprofloxacin antibiotic (CIP) elimination from pharmaceutical effluent. A facile co-precipitation approach was utilized to construct the heterogeneous BC-NiFe2O4. The synthesized materials were systematically characterized using techniques such as XRD, FE-SEM, EDX, HR-TEM, BET, FTIR, and XPS. In addition, the magnetic measurements indicated the ferromagnetic behavior of the BC-NiFe2O4 sample. The influencing factors (i.e., pH, contact time, initial concentration, dose of adsorbent, ions interference, and solution temperature) of the adsorption process were also well studied. The adsorption capacity of the BC-NiFe2O4 heterostructure was 68.79 mg g−1 compared to the BC sample (35.71 mg g−1), confirming that the loading of magnetically NiFe2O4 nanoparticles onto the surface of porous biochar enhanced its stability and adsorption performance for CIP removal, wherein the metal-antibiotic complex has a significant effect for the removal of CIP. Moreover, the Langmuir adsorption isotherm and the pseudo-second-order model displayed a good fit for the experimental data. The values of △H° and △G° revealed that the adsorption process was endothermic and spontaneous. The coordination affinities, π-π stacking, and H-bonding interactions play a more critical role in the adsorption mechanism that confirmed by FTIR and XPS analysis. To study the stability of BC-NiFe2O4 nanocomposites, desorption and recycling studies were investigated. The results revealed that after three cycles, no significant loss in removal efficiency was detected, reflecting the stability and reusability of the prepared BC-NiFe2O4 nanocomposite.

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Structural insights of a cellobiose dehydrogenase enzyme from the basidiomycetes fungus Termitomyces clypeatus

Cited by 13 publications

References 54 publications

Molecular Insights of Cellobiose Dehydrogenase Adsorption on Self-Assembled Monolayers

Molecular Insights of Cellobiose Dehydrogenase Adsorption on Self-Assembled Monolayers

Fungi of Nepal

Heterogeneous porous biochar-supported nano NiFe2O4 for efficient removal of hazardous antibiotic from pharmaceutical wastewater

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