An Engineered β-Hairpin Peptide Forming Thermostable Complexes with ZnII, NiII, and CuII through a His3 Site [Research Data]

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Pham, Truc Lam; Fazliev, Sunnatullo; Baur, Philipp; Comba, Peter; Thomas, Franziska, 2024, "An Engineered β-Hairpin Peptide Forming Thermostable Complexes with ZnII, NiII, and CuII through a His3 Site [Research Data]", https://doi.org/10.11588/data/SIESG0, heiDATA, V1

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Description	The three-dimensional structure of a peptide, which determines its function, can denature at elevated temperatures, in the presence of chaotropic reagents, or in organic solvents. These factors limit the applicability of peptides. Herein, we present an engineered β-hairpin peptide containing a His₃ site that forms complexes with Zn^II, Ni^II, and Cu^II. Circular dichroism spectroscopy shows that the peptide−metal complexes exhibit melting temperatures up to 80 °C and remain folded in 6 M guanidine hydrochloride as well as in organic solvents. Intrinsic fluorescence titration experiments were used to determine the dissociation constants of metal binding in the nano- to sub-nanomolar range. The coordination geometry of the peptide−Cu^II complex was studied by EPR spectroscopy, and a distorted square planar coordination geometry with weak interactions to axial ligands was revealed. Due to their impressive stability, the presented peptide−metal complexes open up interesting fields of application, such as the development of a new class of peptide−metal catalysts for stereoselective organic synthesis or the directed design of extremophilic β-sheet peptides.
Subject	Chemistry
Keyword	peptide design, β-sheet peptide, tryptophan zipper, thermostability, metal binding peptide
Related Publication	Pham, T. L., Fazliev, S., Baur P., Comba, P., Thomas, F. (2023). An Engineered β-Hairpin Peptide Forming Thermostable Complexes with Zn^II, Ni^II, and Cu^II through a His₃ Site. ChemBioChem, 24, 3, e202200588. doi: 10.1002/cbic.202200588
License/Data Use Agreement	CC BY 4.0

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Persistent Identifier	doi:10.11588/data/SIESG0
Publication Date	2024-02-19
Title	An Engineered β-Hairpin Peptide Forming Thermostable Complexes with ZnII, NiII, and CuII through a His3 Site [Research Data]
Alternative URL	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.202200588
Author	Pham, Truc Lam (Heidelberg University, Institute of Organic Chemistry) - ORCID: 0000-0003-3808-2083 Fazliev, Sunnatullo (Heidelberg University, Institute of Organic Chemistry) - ORCID: 0000-0002-6889-304X Baur, Philipp (Heidelberg University, Institute of Inorganic Chemistry) - ORCID: 0000-0002-0701-6756 Comba, Peter (Heidelberg University, Institute of Inorganic Chemistry) - ORCID: 0000-0001-7796-3532 Thomas, Franziska (Heidelberg University, Institute of Organic Chemistry) - ORCID: 0000-0002-1176-7018
Point of Contact	Use email button above to contact. Thomas, Franziska (Heidelberg University, Institute of Organic Chemistry) Pham, Truc Lam (Heidelberg University, Institute of Organic Chemistry)
Description	The three-dimensional structure of a peptide, which determines its function, can denature at elevated temperatures, in the presence of chaotropic reagents, or in organic solvents. These factors limit the applicability of peptides. Herein, we present an engineered β-hairpin peptide containing a His₃ site that forms complexes with Zn^II, Ni^II, and Cu^II. Circular dichroism spectroscopy shows that the peptide−metal complexes exhibit melting temperatures up to 80 °C and remain folded in 6 M guanidine hydrochloride as well as in organic solvents. Intrinsic fluorescence titration experiments were used to determine the dissociation constants of metal binding in the nano- to sub-nanomolar range. The coordination geometry of the peptide−Cu^II complex was studied by EPR spectroscopy, and a distorted square planar coordination geometry with weak interactions to axial ligands was revealed. Due to their impressive stability, the presented peptide−metal complexes open up interesting fields of application, such as the development of a new class of peptide−metal catalysts for stereoselective organic synthesis or the directed design of extremophilic β-sheet peptides.
Subject	Chemistry
Keyword	peptide design β-sheet peptide tryptophan zipper thermostability metal binding peptide
Related Publication	Pham, T. L., Fazliev, S., Baur P., Comba, P., Thomas, F. (2023). An Engineered β-Hairpin Peptide Forming Thermostable Complexes with Zn^II, Ni^II, and Cu^II through a His₃ Site. ChemBioChem, 24, 3, e202200588. doi: 10.1002/cbic.202200588 https://doi.org/10.1002/cbic.202200588
Funding Information	Deutsche Forschungsgemeinschaft (DFG): 414261058, 2082/1–390761711 (3DMM2O) Fonds der Chemischen Industrie: Kekulé Fellowship (T.L.P)

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