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Default Epitope mapping of ligand-receptor interactions by diffusion NMR.

Epitope mapping of ligand-receptor interactions by diffusion NMR.

Related Articles Epitope mapping of ligand-receptor interactions by diffusion NMR.

J Am Chem Soc. 2002 Aug 28;124(34):9984-5

Authors: Yan J, Kline AD, Mo H, Zartler ER, Shapiro MJ

A novel method based on diffusion NMR for the epitope mapping of ligand binding is presented. The intermolecular NOE builds up during a long diffusion period and creates a deviation from the linearity. The ligand proton nearest the protein generates the strongest NOE from protein during the diffusion period and has the largest deviation. Therefore, this diffusion artifact can be used to characterize the ligand binding epitope. The concept was investigated using dihydrofolate reductase (DHFR) and its ligand trimethoprim (TMP), and the epitope map of TMP on DHFR generated with this method is in excellent agreement with the structural and dynamic studies by crystallography and NMR, as well as the medicinal chemistry results.

PMID: 12188651 [PubMed - indexed for MEDLINE]



Source: PubMed
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