descriptionPublicationkeyboard_double_arrow_right Article 29 Dec 2016 English Publisher:Oxford University Press (OUP)Journal:Plant Physiology, volume 173, pages 1,075-1,093 (issn: 0032-0889, eissn: 1532-2548,

Authors: Hocq, Ludivine; Senechal, Fabien; Lefebvre, Valérie; Lehner, Arnaud; Domon, Jean-Marc; Mollet, Jean-Claude; Dehors, Jérémy; +6 Authors

doi: 10.1104/pp.16.01790

pmid: 28034952

pmc: PMC5291010

handle: 11588/950961

Combined Experimental and Computational Approaches Reveal Distinct pH Dependence of Pectin Methylesterase Inhibitors

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Abstract

The fine-tuning of the degree of methylesterification of cell wall pectin is a key to regulating cell elongation and ultimately the shape of the plant body. Pectin methylesterification is spatiotemporally controlled by pectin methylesterases (PMEs; 66 members in Arabidopsis [Arabidopsis thaliana]). The comparably large number of proteinaceous pectin methylesterase inhibitors (PMEIs; 76 members in Arabidopsis) questions the specificity of the PME-PMEI interaction and the functional role of such abundance. To understand the difference, or redundancy, between PMEIs, we used molecular dynamics (MD) simulations to predict the behavior of two PMEIs that are coexpressed and have distinct effects on plant development: AtPMEI4 and AtPMEI9. Simulations revealed the structural determinants of the pH dependence for the interaction of these inhibitors with AtPME3, a major PME expressed in roots. Key residues that are likely to play a role in the pH dependence were identified. The predictions obtained from MD simulations were confirmed in vitro, showing that AtPMEI9 is a stronger, less pH-independent inhibitor compared with AtPMEI4. Using pollen tubes as a developmental model, we showed that these biochemical differences have a biological significance. Application of purified proteins at pH ranges in which PMEI inhibition differed between AtPMEI4 and AtPMEI9 had distinct consequences on pollen tube elongation. Therefore, MD simulations have proven to be a powerful tool to predict functional diversity between PMEIs, allowing the discovery of a strategy that may be used by PMEIs to inhibit PMEs in different microenvironmental conditions and paving the way to identify the specific role of PMEI diversity in muro.

Related Organizations

National Research Institute for Agriculture, Food and Environment
France
University of Reims Champagne-Ardenne
France
French National Centre for Scientific Research
France
UNIVERSITE DE ROUEN
France
PSL Research University
France

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Keywords

[SDV.BBM.MN]Life Sciences [q-bio]/Biochemistry, [CHIM.POLY] Chemical Sciences/Polymers, [SDV.BIO]Life Sciences [q-bio]/Biotechnology, Molecular Biology/Biochemistry [q-bio.BM], Arabidopsis, Germination, [SDV.BBM.GTP]Life Sciences [q-bio]/Biochemistry, [SDV.BC.BC]Life Sciences [q-bio]/Cellular Biology/Subcellular Processes [q-bio.SC], Pollen Tube, [SDV.BC.IC] Life Sciences [q-bio]/Cellular Biology/Cell Behavior [q-bio.CB], Molecular Dynamics Simulation, [SDV.BBM.BM] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology, Plant Roots, Cell Wall, Gene Expression Regulation, Plant, [SDV.BC.IC]Life Sciences [q-bio]/Cellular Biology/Cell Behavior [q-bio.CB], [SDV.BC.BC] Life Sciences [q-bio]/Cellular Biology/Subcellular Processes [q-bio.SC], Escherichia coli, Enzyme Inhibitors, [SDV.BBM.BC] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM], [SDV.BDD.GAM]Life Sciences [q-bio]/Development Biology/Gametogenesis, [SDV.BV.PEP] Life Sciences [q-bio]/Vegetal Biology/Phytopathology and phytopharmacy, Molecular Biology/Genomics [q-bio.GN], [SDV.BDD.GAM] Life Sciences [q-bio]/Development Biology/Gametogenesis, Molecular Biology/Molecular Networks [q-bio.MN], Arabidopsis Proteins, Computational Biology, Hydrogen Bonding, Hydrogen-Ion Concentration, 540, Hypocotyl, Recombinant Proteins, Molecular Biology/Molecular biology, [SDV.BV.PEP]Life Sciences [q-bio]/Vegetal Biology/Phytopathology and phytopharmacy, [SDV.BIO] Life Sciences [q-bio]/Biotechnology, [SDV.BV.AP]Life Sciences [q-bio]/Vegetal Biology/Plant breeding, [CHIM.POLY]Chemical Sciences/Polymers, [SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry, [SDV.BBM.MN] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular Networks [q-bio.MN], [SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry, [SDV.BBM.GTP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Genomics [q-bio.GN], [SDV.BV.AP] Life Sciences [q-bio]/Vegetal Biology/Plant breeding, Carboxylic Ester Hydrolases

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Pectinesterase inhibitor 9
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Combined Experimental and Computational Approaches Reveal Distinct pH Dependence of Pectin Methylesterase Inhibitors

Combined Experimental and Computational Approaches Reveal Distinct pH Dependence of Pectin Methylesterase Inhibitors

4 Research products, page 1 of 1

Pectinesterase inhibitor 4

Pectinesterase inhibitor 9

Flags: Precursor;

Flags: Precursor;