ArticleProceedings of the National Academy of Sciences of the United States of America2007
Establishing the entatic state in folding metallated Pseudomonas aeruginosa azurin.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 26 citations in OpenAlex.
- Frustration in physiology and molecular medicine.Molecular aspects of medicine · 2025Review
- Reversible solvatomagnetic switching in a single-ion magnet from an entatic state.Chemical science · 2017Article
- Review
- Understanding the frustration arising from the competition between function, misfolding, and aggregation in a globular protein.Proceedings of the National Academy of Sciences of the United States of America · 2014Article
- Nitrate and periplasmic nitrate reductases.Chemical Society reviews · 2014Review
- Trapping a salt-dependent unfolding intermediate of the marginally stable protein Yfh1.Frontiers in molecular biosciences · 2014Article
- Flexibility of the metal-binding region in apo-cupredoxins.Proceedings of the National Academy of Sciences of the United States of America · 2012Article
- Characterization of the cofactor-induced folding mechanism of a zinc-binding peptide using computationally designed mutants.Journal of molecular biology · 2009Article
- Inherent flexibility determines the transition mechanisms of the EF-hands of calmodulin.Proceedings of the National Academy of Sciences of the United States of America · 2009Article
- High-potential C112D/M121X (X = M, E, H, L) Pseudomonas aeruginosa azurins.Inorganic chemistry · 2009Article
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Authors and funding
6 authors at 3 institutions in 1 country.
Funding
Abstract
Understanding how the folding of proteins establishes their functional characteristics at the molecular level challenges both theorists and experimentalists. The simplest test beds for confronting this issue are provided by electron transfer proteins. The environment provided by the folded protein to the cofactor tunes the metal's electron transport capabilities as envisioned in the entatic hypothesis. To see how the entatic state is achieved one must study how the folding landscape affects and in turn is affected by the metal. Here, we develop a coarse-grained functional to explicitly model how the coordination of the metal (which results in a so-called entatic or rack-induced state) modifies the folding of the metallated Pseudomonas aeruginosa azurin. Our free-energy functional-based approach directly yields the proper nonlinear extra-thermodynamic free energy relationships for the kinetics of folding the wild type and several point-mutated variants of the metallated protein. The results agree quite well with corresponding laboratory experiments. Moreover, our modified free-energy functional provides a sufficient level of detail to explicitly model how the geometric entatic state of the metal modifies the dynamic folding nucleus of azurin.
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