ArticleProceedings of the National Academy of Sciences of the United States of America2002
Mechanism of ABC transporters: a molecular dynamics simulation of a well characterized nucleotide-binding subunit.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2002. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 46 papers.
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Who cites it
46 citing papers in PubMed, 146 citations in OpenAlex.
- Genome-wide identification analysis of the ATP-binding cassette transporter family and expression analysis under methyl jasmonate treatment in Panax ginseng.BMC plant biology · 2025Article
- Cryo-EM analyses unveil details of mechanism and targocil-II mediated inhibition of S. aureus WTA transporter TarGH.Nature communications · 2025Article
- Pharmacological agents targeting drug-tolerant persister cells in cancer.Pharmacological research · 2024Review
- Protein modeling and in silico analysis to assess pathogenicity ofMolecular vision · 2023Article
- The Role of ABC Transporters in Skin Cells Exposed to UV Radiation.International journal of molecular sciences · 2022Review
- Receptor-Mediated Targeted Delivery of Surface-ModifiedNanomedicine in Breast Cancer: Recent Update and Challenges.Pharmaceutics · 2021Review
- Modifications of Plasma Membrane Organization in Cancer Cells for Targeted Therapy.Molecules (Basel, Switzerland) · 2021Review
- The Structure and Mechanism of Drug Transporters.Methods in molecular biology (Clifton, N.J.) · 2021Article
- Article
- Root exudates: from plant to rhizosphere and beyond.Plant cell reports · 2020Review
- Phytochemicals: Potential Lead Molecules for MDR Reversal.Frontiers in pharmacology · 2020Review
- Relationship between conformation shift and disease related variation sites in ATP-binding cassette transporter proteins.Biophysics and physicobiology · 2019Article
- Flexible-to-rigid transition is central for substrate transport in the ABC transporter BmrA fromCommunications biology · 2019Article
- Molecular modeling and3 Biotech · 2018Article
- Review
- Type I Protein Secretion-Deceptively Simple yet with a Wide Range of Mechanistic Variability across the Family.EcoSal Plus · 2016Review
- Release of Entropic Spring Reveals Conformational Coupling Mechanism in the ABC Transporter BtuCD-F.Biophysical journal · 2016Article
- Membrane transporters in self resistance of Cercospora nicotianae to the photoactivated toxin cercosporin.Current genetics · 2015Article
- Insights into Chemoresistance of Prostate Cancer.International journal of biological sciences · 2015Review
- Article
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2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
ATP-binding cassette (ABC) transporters are membrane-bound molecular pumps that form one of the largest of all protein families. Several of them are central to phenomena of biomedical interest, including cystic fibrosis and resistance to chemotherapeutic drugs. ABC transporters share a common architecture comprising two hydrophilic nucleotide-binding domains (NBDs) and two hydrophobic transmembrane domains (TMDs) that form the substrate pathway across the membrane. The conformational changes in the NBDs induced by ATP hydrolysis and the means by which they are transmitted to the TMDs to effect substrate translocation remain largely unknown. We have performed a molecular dynamics simulation of HisP, the well studied NBD of the bacterial histidine permease, to identify hinges and switches of the NBD conformational transitions and subunit-subunit interfaces. This analysis reveals that the TMDs regulate ATP hydrolysis by controlling conformational transitions of the NBD helical domains, and identifies the conformational changes and the crucial TMD:NBD interface, by which the energy of ATP hydrolysis is transmitted to the TMDs. We also define the conformational transitions of the Q-loop, a key element of the NBD mechanism, and identify pathways by which Q-loop switching is coordinated with TMD and NBD conformational changes. We propose a model for the catalytic cycle of ABC transporters that shows how substrate-binding and transport by the TMDs may be coordinated and coupled with ATP binding and hydrolysis in the NBDs.
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