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Article

Sphingosine 1-phosphate pKa and binding constants: intramolecular and intermolecular influences.

Journal of molecular graphics & modelling - 1 Sept 2007

Naor Mor M, Walker Michelle D, Van Brocklyn James R, Tigyi Gabor, Parrill Abby L

Abstract excerpt

The dissociation constant for an ionizable ligand binding to a receptor is dependent on its charge and therefore on its environmentally-influenced pKa value. The pKa values of sphingosine 1-phosphate (S1P) were studied computationally in the context of the wild type S1P1 receptor and the following mutants: E3.29Q, E3.29A, and K5.38A. Calculated pKa values indicate that S1P binds to S1P1 and its site mutants with...

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Identifiers

PMID: 17467317
DOI: 10.1016/j.jmgm.2007.03.004
PMCID: PMC2040500

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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