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Related Concept Videos

ABC Transporters: Exporter01:31

ABC Transporters: Exporter

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ATP-binding cassette or ABC transporter is the largest superfamily of integral membrane proteins. The transporters have transmembrane-binding domains (TMDs) and nucleotide-binding domains (NBDs). The TMDs are specific to their substrates, whereas the NBDs are similar to engines that complete ATP hydrolysis to complete the substrate transport. They can be full transporters consisting of two TMDs and NBDs, half transporters with one TMD and NBD, while some encoded with a single TMD or NBD are...
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ABC Transporters: Importer01:27

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ATP-binding cassette or ABC transporters are a class of ATP-driven pumps that hydrolyze ATP to move solutes across the membrane. They can be grouped into importers and exporters. While exporters are present in all domains of life, importers exist only in bacteria and some plants.
In bacteria, based on the number of transmembrane helices and the chemical nature of their substrates, the ABC importers can be divided into three types:
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Cotranslational Protein Translocation01:20

Cotranslational Protein Translocation

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Translocation of proteins across membranes is an ancient process that occurs even in bacteria and archaebacteria. In fact, the components of the translocation machinery are still conserved between prokaryotes and eukaryotes.
Sec61 channel partners for cotranslational translocation
During cotranslational translocation, the Sec61 channel partners with the signal recognition particle (SRP), the signal recognition particle receptor (SR), and the ribosomes to transport the nascent polypeptide chain...
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Nuclear Export01:42

Nuclear Export

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The nucleus restricts several proteins within and allows others to pass. The restricted proteins possess a nuclear retention sequence or NRS, anchoring them to the nuclear lamins and preventing their transport to the cytosol. The non-restricted proteins, after their synthesis, are transported to their site of action, such as the cytosol or other organelles, with the help of nuclear export signals or NES.
NES are of three types- the canonical 10-residue long leucine-rich signal and other...
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Bacterial Translocation and Protein Secretion01:26

Bacterial Translocation and Protein Secretion

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Bacterial protein secretion involves translocation systems to ensure proteins reach their designated locations, including the plasma membrane, periplasm, outer membrane, or the external environment. These translocation systems are vital for bacterial physiology, supporting processes like membrane assembly, enzymatic activity in the periplasm, and interactions with the external environment. The division of labor between Sec and Tat pathways ensures efficiency in handling proteins with diverse...
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Drug Absorption Mechanism: Carrier-Mediated Membrane Transport01:19

Drug Absorption Mechanism: Carrier-Mediated Membrane Transport

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Certain large, lipid-insoluble drug molecules that resemble amino acids, peptides, or glucose, require specialized carrier proteins to facilitate their diffusion across cell membranes. This transport can occur through either facilitated diffusion, which does not require energy input, or active transport, which does require energy input.
Facilitated diffusion is a passive process that utilizes human Solute Carrier (SLC) transporters. These transporters bind to the drug, undergo structural...
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Author Spotlight: A Bicelle Crystallization Setup for ABC Transporter Membrane Proteins to Advance Drug Development
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Capturing Substrate Translocation in an ABC Exporter at the Atomic Level.

Hendrik Göddeke1, Lars V Schäfer1

  • 1Theoretical Chemistry, Faculty of Chemistry and Biochemistry, Ruhr University Bochum, 44780 Bochum, Germany.

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Summary

This study used molecular dynamics simulations to visualize how ATP-binding cassette (ABC) transporters move drugs across membranes. It reveals drug translocation mechanisms and substrate interactions with the transporter and lipid bilayer.

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Area of Science:

  • Biochemistry
  • Structural Biology
  • Computational Biology

Background:

  • ATP-binding cassette (ABC) transporters are crucial membrane proteins that utilize ATP hydrolysis to move substrates across cellular membranes.
  • Understanding the atomic-level dynamics of substrate translocation is essential for deciphering ABC transporter mechanisms.

Purpose of the Study:

  • To elucidate the dynamic mechanism of substrate translocation by ABC transporters at the atomic level.
  • To investigate the transport of daunorubicin and verapamil by the heterodimeric ABC exporter TM287/288.

Main Methods:

  • All-atom molecular dynamics (MD) simulations were employed to study the TM287/288 transporter from *Thermotoga maritima*.
  • Simulations were conducted at a high temperature (375 K) over multiple microseconds to capture dynamic events.

Main Results:

  • Substrate translocation was observed following the alternating access conformational changes (inward-facing to outward-facing) of the ABC transporter.
  • Substrates daunorubicin and verapamil were released from the outward-facing transporter into the lipid bilayer due to differential solvation effects.
  • Daunorubicin stably inserted into the outer leaflet, while verapamil exhibited dynamic flip-flopping between bilayer leaflets.

Conclusions:

  • The study provides atomic-level insights into the chemomechanical coupling and substrate translocation process of ABC transporters.
  • Differential substrate interaction with the lipid bilayer influences the net transport efficiency, potentially explaining futile transport cycles.