Literature summary for 1.8.5.1 extracted from

Choudhury, S.; Moulick, D.; Mazumder, M.
Secondary metabolites protect against metal and metalloid stress in rice an in silico investigation using dehydroascorbate reductase (2021), Acta Physiol. Plant., 43, 3 .

No PubMed abstract available

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Crystallization (Commentary)

Crystallization (Comment)	Organism
the structure of the enzyme in complex with GSH and calcium, PDB ID 5D9X and determined at 1.68 A resolution, is analyzed	Oryza sativa Japonica Group

Metals/Ions

Metals/Ions	Comment	Organism	Structure
additional information	computational modeling analysis is performed to understand the potential of five plant metabolites including ascorbic acid (AA), reduced glutathione (GSH), serotonin, jasmonic acid (JA), and salicylic acid (SA) in ameliorating metal/metalloid stress in rice, using dehydroascorbate reductase (DHAR) as a model. Six metal/metalloid ions (As3+, As5+, Cd2+, Cu2+, Pb2+, Zn2+) are used in the study, and the relative affinity, binding geometry and electrostatic surfaces of secondary metabolites and ions with the active site of DHAR are predicted. The results reveal that all the metabolites and ions may potentially interact with the active catalytic site of DHAR. The free energies of binding (docking score) of the metabolites are manyfolds higher than those of the ions. On comparison, the docking score of As3+ is found to be 28.29% of that of AA. Further, compared to AA, SA has lower score, and GSH, JA and serotonin show 1.42, 1.30 and 1.18fold higher score than AA. Further analysis reveals that the electrostatic surfaces of the metabolites and ions overlap with one another. Statistical analysis is performed to determine the properties of the ligands which are crucial in facilitating interaction of the ligands	Oryza sativa Japonica Group

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
2 glutathione + dehydroascorbate	Oryza sativa Japonica Group	-	glutathione disulfide + ascorbate	-	?

Organism

Organism	UniProt	Comment	Textmining
Oryza sativa Japonica Group	Q65XA0	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
2 glutathione + dehydroascorbate	-	Oryza sativa Japonica Group	glutathione disulfide + ascorbate	-	?

Synonyms

Synonyms	Comment	Organism
dehydroascorbate reductase	-	Oryza sativa Japonica Group
DHAR	-	Oryza sativa Japonica Group
DHAR1	-	Oryza sativa Japonica Group
OsDHAR	-	Oryza sativa Japonica Group

General Information

General Information	Comment	Organism
additional information	computational modeling analysis is performed to understand the potential of five plant metabolites including ascorbic acid (AA), reduced glutathione (GSH), serotonin, jasmonic acid (JA), and salicylic acid (SA) in ameliorating metal/metalloid stress in rice, using dehydroascorbate reductase (DHAR) as a model. Six metal/metalloid ions (As3+, As5+, Cd2+, Cu2+, Pb2+, Zn2+) are used in the study, and the relative affinity, binding geometry and electrostatic surfaces of secondary metabolites and ions with the active site of DHAR are predicted. The results reveal that all the metabolites and ions may potentially interact with the active catalytic site of DHAR. The free energies of binding (docking score) of the metabolites are manyfolds higher than those of the ions. On comparison, the docking score of As3+ is found to be 28.29% of that of AA. Further, compared to AA, SA has lower score, and GSH, JA and serotonin show 1.42, 1.30 and 1.18fold higher score than AA. Further analysis reveals that the electrostatic surfaces of the metabolites and ions overlap with one another. Statistical analysis is performed to determine the properties of the ligands which are crucial in facilitating interaction of the ligands. Molecular docking, ligand-receptor interactions analysis, detailed overview	Oryza sativa Japonica Group
physiological function	in addition to these secondary metabolites, antioxidant enzymes play a fundamental role in regulating both biotic and abiotic stress responses in plants. One of the important antioxidant enzymes in plants is dehydroascorbate reductase (DHAR), which is crucial in maintaining the cellular levels of ascorbate through the ascorbate-glutathione cycle. DHAR converts dehydroascorbate (DHA) to ascorbate using reducing equivalents from GSH, whereby GSH is converted to oxidized glutathione (GSSG) and ascorbate is recycled. DHAR plays an important role in regulating H2O2-induced OS through the ascorbate-glutathione cycle. Thus, DHAR is a key player in detoxification of ROS to effectively regulate the cellular redox homeostasis	Oryza sativa Japonica Group

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Release 2023.1 (January 2023)