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Article

Water-mediated conformational preselection mechanism in substrate binding cooperativity to protein kinase A.

Proceedings of the National Academy of Sciences of the United States of America - 10 Apr 2018

Setny Piotr, Wiśniewska Marta D

Abstract excerpt

Substrate binding cooperativity in protein kinase A (PKA) seems to involve allosteric coupling between the two binding sites. It received significant attention, but its molecular basis still remains not entirely clear. Based on long molecular dynamics of PKA and its complexes, we characterized an allosteric pathway that links ATP binding to the redistribution of states adopted by a protein substrate positioning...

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Identifiers

PMID: 29581285
DOI: 10.1073/pnas.1720024115
PMCID: PMC5899460

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 6 Sept 2026. Manifest publication-graph-cohort-2026-09-06.1.

Source receipt: pubmed, retrieved 6 Sept 2026.

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