ArticleProteins2015
Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization.
Article in Proteins, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.
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Who cites it
33 citing papers in PubMed.
- Preorganized Electric Fields in Voltage-Gated Sodium Channels.Chembiochem : a European journal of chemical biology · 2025Article
- Methyl transfer in psilocybin biosynthesis.Nature communications · 2024Article
- Substrate Positioning Dynamics Involves a Non-Electrostatic Component to Mediate Catalysis.The journal of physical chemistry letters · 2023Article
- The GlycineThe journal of physical chemistry. B · 2023Article
- High-throughput computational investigation of protein electrostatics and cavity for SAM-dependent methyltransferases.Protein science : a publication of the Protein Society · 2023Article
- Protein Dynamics and Enzymatic Catalysis.The journal of physical chemistry. B · 2023Review
- Computational Analysis of SAM Analogs as Methyltransferase Inhibitors of nsp16/nsp10 Complex from SARS-CoV-2.International journal of molecular sciences · 2022Article
- Perspective: Path Sampling Methods Applied to Enzymatic Catalysis.Journal of chemical theory and computation · 2022Review
- Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM Approach.International journal of molecular sciences · 2021Article
- Cheminformatic quantum mechanical enzyme model design: A catechol-O-methyltransferase case study.Biophysical journal · 2021Article
- Article
- Enhancing the enthalpic contribution of hydrogen bonds by solvent shielding.RSC chemical biology · 2020Article
- Transition-State Vibrational Analysis and Isotope Effects for COMT-Catalyzed Methyl Transfer.Journal of the American Chemical Society · 2020Article
- Examining the Origin of Catalytic Power of Catechol O-Methyltransferase.ACS catalysis · 2019Article
- Mechanism of allosteric activation of human mRNA cap methyltransferase (RNMT) by RAM: insights from accelerated molecular dynamics simulations.Nucleic acids research · 2019Article
- Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-ACS catalysis · 2019Article
- Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation.Reaction chemistry & engineering · 2019Article
- Crystallographic and Computational Characterization of Methyl Tetrel Bonding in S-Adenosylmethionine-Dependent Methyltransferases.Molecules (Basel, Switzerland) · 2018Article
- Large-scale QM/MM free energy simulations of enzyme catalysis reveal the influence of charge transfer.Physical chemistry chemical physics : PCCP · 2018Article
- A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.Science advances · 2018Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
The enzyme catechol O-methyltransferase (COMT) catalyzes the transfer of a methyl group from S-adenosylmethionine to dopamine and related catechols. The search for the origin of COMT catalysis has led to different proposals and hypothesis, including the entropic, the NAC, and the compression proposals as well as the more reasonable electrostatic idea. Thus, it is important to understand the catalytic power of this enzyme and to examine the validity of different proposals and in particular the repeated recent implication of the compression idea. The corresponding analysis should be done by well-defined physically-based considerations that involve computations rather than circular interpretations of experimental results. Thus, we explore here the origin of the catalytic efficiency of COMT by using the empirical valence bond and the linear response approximation approaches. The results demonstrate that the catalytic effect of COMT is mainly due to electrostatic preorganization effects. It is also shown that the compression, NAC and entropic proposals do not account for the catalytic effect.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.