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Related Concept Videos

G-protein Coupled Receptors01:21

G-protein Coupled Receptors

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G-protein coupled receptors are ligand binding receptors that indirectly affect changes in the cell. The actual receptor is a single polypeptide that transverses the cell membrane seven times creating intracellular and extracellular loops. The extracellular loops create a ligand specific pocket which binds to neurotransmitters or hormones. The intracellular loops holds onto the G-protein.
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G-protein Coupled Receptors01:21

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G Protein-coupled Receptors01:15

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G Protein-Coupled Receptors or GPCRs are membrane-bound receptors that transiently associate with heterotrimeric G proteins and induce an appropriate response to sensory stimuli such as light, odors, hormones, cytokines, or neurotransmitters.
GPCRs are also called heptahelical, 7TM, or serpentine receptors, and consist of seven (H1-H7) transmembrane alpha-helices that span the bilayer to form a cylindrical core. The transmembrane helices are connected by three extracellular loops and three...
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Transducer Mechanism: G Protein–Coupled Receptors01:30

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G Protein–Coupled Receptors (GPCRs) are membrane-bound receptors that transiently associate with heterotrimeric G proteins and induce an appropriate response to various stimuli. GPCRs regulate critical physiological pathways and are excellent drug targets for treating diseases such as diabetes, cancer, obesity, depression, or Alzheimer's. Nearly 35% of approved drugs implement their therapeutic effects by selectively interacting with specific GPCRs.
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Activation and Inactivation of G Proteins01:22

Activation and Inactivation of G Proteins

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Heterotrimeric G proteins are guanine nucleotide-binding proteins. As the name suggests, heterotrimeric G proteins are composed of three subunits: alpha, beta, and gamma. They remain GDP-bound or GTP-bound inside the cells and switch between inactive/active states. The Gα subunit possesses the nucleotide-binding pocket that binds guanine nucleotides and switches between GDP or GTP-bound states. In contrast, the Gꞵ and Gγ subunits are always bound together with high...
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Measuring G-protein-coupled Receptor Signaling via Radio-labeled GTP Binding
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GPCR-ModSim: A comprehensive web based solution for modeling G-protein coupled receptors.

Mauricio Esguerra1, Alexey Siretskiy1, Xabier Bello2

  • 1Department of Cell and Molecular Biology, Uppsala University, Biomedical Center, Box 596, SE-751 24, Uppsala, Sweden.

Nucleic Acids Research
|May 12, 2016
PubMed
Summary
This summary is machine-generated.

GPCR-ModSim offers enhanced G-protein Coupled Receptor (GPCR) structural modeling. Updates include improved homology modeling and molecular dynamics refinement for accurate 3D receptor structures.

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Area of Science:

  • Structural Biology
  • Computational Chemistry
  • Biophysics

Background:

  • G-protein Coupled Receptors (GPCRs) are crucial membrane proteins involved in numerous cellular processes.
  • Accurate 3D structural models of GPCRs are essential for understanding their function and for drug discovery.
  • Existing modeling tools may lack comprehensive features for refining GPCR structures.

Purpose of the Study:

  • To revise and present new functionalities of the GPCR-ModSim web service for GPCR structural modeling.
  • To improve the accuracy and flexibility of homology modeling and molecular dynamics refinement for GPCRs.

Main Methods:

  • Utilized updated structural templates for homology modeling, including separate alignments for different GPCR states (inactive, partially-active, active).
  • Implemented a novel multi-template homology modeling approach.
  • Introduced an enhanced molecular dynamics (MD) protocol with distance restraints based on conserved helical contacts for model refinement.

Main Results:

  • Updated templates and multi-template modeling enhance the generation of diverse GPCR conformations.
  • The new MD protocol refines models more effectively, especially for low-homology targets.
  • GPCR-ModSim demonstrated satisfactory performance in the GPCR Dock 2013 competition.

Conclusions:

  • GPCR-ModSim provides a robust and versatile platform for GPCR structural modeling.
  • The enhanced features improve the quality of 3D models, aiding in the study of GPCR structure-function relationships.
  • The service is valuable for researchers studying GPCRs, particularly when dealing with limited structural data.