ArticleJournal of chemical information and modeling2026
How Minor Sequence Changes Enable Mechanistic Diversity in MFS Transporters? An Atomic-Level Rationale for Symport Emergence in NarU.
Article in Journal of chemical information and modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
- Substrate binding reorganizes the energetic landscape of Plasmodium falciparum hexose transporter PfHT1.bioRxiv : the preprint server for biology · 2026Article
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Abstract
Closely related membrane transporters can diverge sharply in their modes of transport despite minimal sequence differences, underscoring how minor structural features can alter the transport function. This divergence is exemplified in nitrate and nitrite transport across bacterial membranes, which supports anaerobic respiration and involves the major facilitator superfamily (MFS) transporters NarK and NarU. NarK operates as a nitrate/nitrite antiporter, whereas NarU's mechanism remains unresolved, with evidence suggesting potential symport activity. Using extensive adaptive molecular dynamics simulations and Markov State Modeling, we mapped NarU's conformational free-energy landscape and assessed how its behavior contrasts with mechanistic principles established for NarK. NarU follows a similar gating pathway but displays pronounced asymmetry favoring the outward-facing state and stabilizes an
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