ArticlePLoS computational biology2012
Mechanism of bacterial signal transduction revealed by molecular dynamics of Tsr dimers and trimers of dimers in lipid vesicles.
Article in PLoS computational biology, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed, 42 citations in OpenAlex.
- Navigating bacterial motility through chemotaxis: from molecular mechanisms to physiological perspectives.Folia microbiologica · 2025Review
- Mechanisms of E. coli chemotaxis signaling pathways visualized using cryoET and computational approaches.Biochemical Society transactions · 2022Review
- Using Atomistic Simulations to Explore the Role of Methylation and ATP in Chemotaxis Signal Transduction.ACS omega · 2022Article
- Sensor Histidine Kinase NarQ Activates via Helical Rotation, Diagonal Scissoring, and Eventually Piston-Like Shifts.International journal of molecular sciences · 2020Article
- Article
- Spatial Restrictions in Chemotaxis Signaling Arrays: A Role for Chemoreceptor Flexible Hinges across Bacterial Diversity.International journal of molecular sciences · 2019Article
- Computational Modeling of Realistic Cell Membranes.Chemical reviews · 2019Review
- Inverted signaling by bacterial chemotaxis receptors.Nature communications · 2018Article
- Flexible Hinges in Bacterial Chemoreceptors.Journal of bacteriology · 2018Article
- Signaling and Adaptation Modulate the Dynamics of the Photosensoric Complex of Natronomonas pharaonis.PLoS computational biology · 2015Article
- Probing the Solution Structure of IκB Kinase (IKK) Subunit γ and Its Interaction with Kaposi Sarcoma-associated Herpes Virus Flice-interacting Protein and IKK Subunit β by EPR Spectroscopy.The Journal of biological chemistry · 2015Article
- Signaling and sensory adaptation in Escherichia coli chemoreceptors: 2015 update.Trends in microbiology · 2015Review
- Both piston-like and rotational motions are present in bacterial chemoreceptor signaling.Scientific reports · 2015Article
- Determining Structural and Mechanical Properties from Molecular Dynamics Simulations of Lipid Vesicles.Journal of chemical theory and computation · 2014Article
- Sidekick for Membrane Simulations: Automated Ensemble Molecular Dynamics Simulations of Transmembrane Helices.Journal of chemical theory and computation · 2014Article
- CHARMM-GUI PACE CG Builder for solution, micelle, and bilayer coarse-grained simulations.Journal of chemical information and modeling · 2014Article
- Cholesterol modulates the dimer interface of the β₂-adrenergic receptor via cholesterol occupancy sites.Biophysical journal · 2014Article
- Excitation and adaptation in bacteria-a model signal transduction system that controls taxis and spatial pattern formation.International journal of molecular sciences · 2013Article
- A phenylalanine rotameric switch for signal-state control in bacterial chemoreceptors.Nature communications · 2013Article
- Two distinct states of the HAMP domain from sensory rhodopsin transducer observed in unbiased molecular dynamics simulations.PloS one · 2013Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
Bacterial chemoreceptors provide an important model for understanding signalling processes. In the serine receptor Tsr from E. coli, a binding event in the periplasmic domain of the receptor dimer causes a shift in a single transmembrane helix of roughly 0.15 nm towards the cytoplasm. This small change is propagated through the ≈ 22 nm length of the receptor, causing downstream inhibition of the kinase CheA. This requires interactions within a trimer of receptor dimers. Additionally, the signal is amplified across a 53,000 nm(2) array of chemoreceptor proteins, including ≈ 5,200 receptor trimers-of-dimers, at the cell pole. Despite a wealth of experimental data on the system, including high resolution structures of individual domains and extensive mutagenesis data, it remains uncertain how information is communicated across the receptor from the binding event to the downstream effectors. We present a molecular model of the entire Tsr dimer, and examine its behaviour using coarse-grained molecular dynamics and elastic network modelling. We observe a large bending in dimer models between the linker domain HAMP and coiled-coil domains, which is supported by experimental data. Models of the trimer of dimers, built from the dimer models, are more constrained and likely represent the signalling state. Simulations of the models in a 70 nm diameter vesicle with a biologically realistic lipid mixture reveal specific lipid interactions and oligomerisation of the trimer of dimers. The results indicate a mechanism whereby small motions of a single helix can be amplified through HAMP domain packing, to initiate large changes in the whole receptor structure.
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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.