NMR paper Dual Labeling of the CBP/p300 KIX domain for 19F NMR leads to identification of a new small molecule binding site.

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[NMR paper] Dual Labeling of the CBP/p300 KIX domain for 19F NMR leads to identification of a new small molecule binding site.

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02-14-2018, 02:43 AM

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Dual Labeling of the CBP/p300 KIX domain for 19F NMR leads to identification of a new small molecule binding site.

Dual Labeling of the CBP/p300 KIX domain for 19F NMR leads to identification of a new small molecule binding site.

Dual Labeling of the CBP/p300 KIX domain for 19F NMR leads to identification of a new small molecule binding site.

Chembiochem. 2018 Feb 11;:

Authors: Gee CT, Arntson KE, Koleski EJ, Staebell RL, Pomerantz WCK

Abstract
Protein-Observed Fluorine NMR Spectroscopy (PrOF NMR) is an emerging technique for screening and characterizing small molecule-protein interactions. The choice of which amino acid to label for PrOF NMR can be critical for analysis. Here we report the first use of a protein containing two different fluoroaromatic amino acids for NMR studies. Using the KIX domain of the CBP/p300 as a model system, we examine ligand binding of several small molecules elaborated from our previous fragment screen and identify a new ligand binding site distinct from those used by native transcription factors. This site was further supported by computational modeling (FTMap and Schrödinger) and 1H-15N HSQC/HMQC NMR spectroscopy. Metabolic labelling with multiple fluorinated amino acids provides useful probes for further studying ligand binding and has led to new insight for allosterically regulating transcription-factor protein interactions with small molecules.

PMID: 29430847 [PubMed - as supplied by publisher]

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