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PDBsum entry 3wh0

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Isomerase PDB id
3wh0
Contents
Protein chain
145 a.a.
Ligands
SO4
O4B ×2
DTT
Waters ×181

References listed in PDB file
Key reference
Title Crowning proteins: modulating the protein surface properties using crown ethers.
Authors C.C.Lee, M.Maestre-Reyna, K.C.Hsu, H.C.Wang, C.I.Liu, W.Y.Jeng, L.L.Lin, R.Wood, C.C.Chou, J.M.Yang, A.H.Wang.
Ref. Angew Chem Int Ed Engl, 2014, 53, 13054-13058. [DOI no: 10.1002/anie.201405664]
PubMed id 25287606
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.
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