Abstract
Crown ethers are small, cyclic polyethers that have found wide-spread use in phase-transfer catalysis and, to a certain degree, in protein chemistry. Crown ethers readily bind metallic and organic cations, including positively charged amino acid side chains. We elucidated the crystal structures of several protein-crown ether co-crystals grown in the presence of 18-crown-6. We then employed biophysical methods and molecular dynamics simulations to compare these complexes with the corresponding apoproteins and with similar complexes with ring-shaped low-molecular-weight polyethylene glycols. Our studies show that crown ethers can modify protein surface behavior dramatically by stabilizing either intra- or intermolecular interactions. Consequently, we propose that crown ethers can be used to modulate a wide variety of protein surface behaviors, such as oligomerization, domain-domain interactions, stabilization in organic solvents, and crystallization.
Original language | English |
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Pages (from-to) | 13054-13058 |
Number of pages | 5 |
Journal | Angewandte Chemie - International Edition |
Volume | 53 |
Issue number | 48 |
DOIs | |
Publication status | Published - Nov 24 2014 |
Keywords
- Crown compounds
- Crystal growth
- Molecular dynamics
- Protein engineering
- Protein surfaces
ASJC Scopus subject areas
- Catalysis
- General Chemistry
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Dive into the research topics of 'Crowning proteins: Modulating the protein surface properties using crown ethers'. Together they form a unique fingerprint.Datasets
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3WUR : Structure of DMP19 Complex with 18-crown-6
Lee, C.-C. (Contributor), Wang, H.-C. (Contributor) & Wang, A.H.-J. (Contributor), RCSB-PDB, 2014
DOI: 10.2210/pdb3wur/pdb, https://www.rcsb.org/structure/3WUR
Dataset
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3WH0 : Structure of Pin1 Complex with 18-crown-6
Lee, C.-C. (Contributor), Liu, C.-I. (Contributor), Jeng, W.-Y. (Contributor) & Wang, A.H.-J. (Contributor), RCSB-PDB, 2014
DOI: 10.2210/pdb3wh0/pdb, https://www.rcsb.org/structure/3WH0
Dataset