
pmid: 31264961
pmc: PMC6636998
Several enzymes can simultaneously interact with multiple intracellular metabolites, however, how the allosteric effects of distinct ligands are integrated to coordinately control enzymatic activity remains poorly understood. We addressed this question using, as a model system, the glycolytic enzyme pyruvate kinase M2 (PKM2). We show that the PKM2 activator fructose 1,6-bisphosphate (FBP) alone promotes tetramerisation and increases PKM2 activity, but addition of the inhibitor L-phenylalanine (Phe) prevents maximal activation of FBP-bound PKM2 tetramers. We developed a method, AlloHubMat, that uses eigenvalue decomposition of mutual information derived from molecular dynamics trajectories to identify residues that mediate FBP-induced allostery. Experimental mutagenesis of these residues identified PKM2 variants in which activation by FBP remains intact but cannot be attenuated by Phe. Our findings reveal residues involved in FBP-induced allostery that enable the integration of allosteric input from Phe and provide a paradigm for the coordinate regulation of enzymatic activity by simultaneous allosteric inputs.
none, native mass spectrometry, DNA Mutational Analysis, computational biology, Fructosediphosphates, structural biology, Biology (General), Enzyme Inhibitors, Chemical Biology & High Throughput, Human Biology & Physiology, allostery, Q, R, systems biology, Medicine, Computational and Systems Biology, Thyroid Hormone-Binding Proteins, 570, Thyroid Hormones, QH301-705.5, enzymology, Science, Phenylalanine, Immunology, Enzyme Activators, Infectious Disease, Molecular Dynamics Simulation, Biochemistry & Proteomics, Gene Expression Regulation, Enzymologic, Cell Line, Signalling & Oncogenes, Allosteric Regulation, molecular biophysics, Humans, Computational & Systems Biology, Spectrum Analysis, FOS: Clinical medicine, Membrane Proteins, Cell Biology, Tumour Biology, molecular dynamics, Metabolism, Protein Multimerization, Carrier Proteins, Developmental Biology, Structural Biology & Biophysics
none, native mass spectrometry, DNA Mutational Analysis, computational biology, Fructosediphosphates, structural biology, Biology (General), Enzyme Inhibitors, Chemical Biology & High Throughput, Human Biology & Physiology, allostery, Q, R, systems biology, Medicine, Computational and Systems Biology, Thyroid Hormone-Binding Proteins, 570, Thyroid Hormones, QH301-705.5, enzymology, Science, Phenylalanine, Immunology, Enzyme Activators, Infectious Disease, Molecular Dynamics Simulation, Biochemistry & Proteomics, Gene Expression Regulation, Enzymologic, Cell Line, Signalling & Oncogenes, Allosteric Regulation, molecular biophysics, Humans, Computational & Systems Biology, Spectrum Analysis, FOS: Clinical medicine, Membrane Proteins, Cell Biology, Tumour Biology, molecular dynamics, Metabolism, Protein Multimerization, Carrier Proteins, Developmental Biology, Structural Biology & Biophysics
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 27 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Top 10% | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 10% |
