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Default Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR.

Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR.

Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR.

J Am Chem Soc. 2018 Feb 26;:

Authors: Li J, Wang Y, An L, Chen J, Yao L

Abstract
van der Waals interactions are important to protein stability and function. These interactions are usually identified empirically based on protein 3D structures. In this work, we performed a solution nuclear magnetic resonance (NMR) spectroscopy study of van der Waals interactions by detecting the through-space vdwJCC-coupling between protein aliphatic side chain groups. Specifically, vdwJCC-coupling values up to ~0.5 Hz were obtained between the methyl and nearby aliphatic groups in protein GB3, providing direct experimental evidence for the van der Waals interactions. Quantum mechanical calculations suggest that the J-coupling is correlated with the exchange-repulsion term of van der Waals interaction. NMR detection of vdwJCC-coupling offers a new tool to characterize such interactions in proteins.


PMID: 29480712 [PubMed - as supplied by publisher]



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