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Structural analysis of the tripeptide glycyle-methionyl-glycine (H-Gly-Met-Gly-OH) and its hydrochloride

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Abstract

As part of an investigation on the coordination ability of peptides, structural analyses of the solid tripeptide glycyl-methionyl-glycine (H-Gly-Met-Gly-OH) and its hydrochloride have been carried out. The quantum chemical calculations (B3LYP/6-31+G(d) and UHF/6-31G**) and linear-dichroic infrared (IR-LD) spectroscopy predict a near to linear structure of the pure ligand, but the experimental IR-LD data are in accordance with a cross-linked disposition of both amide fragments in the protonated form. This result is confirmed by an X-ray diffraction study of latter compound. The presented work also demonstrates the possibilities of IR-LD spectral analysis for the structural characterization of an amorphous system such as the investigated tripeptide.

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Acknowledgment

B.B. Ivanova thanks Alexander von Humboldt Foundation for a grant to visit Bochum.

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Authors and Affiliations

  1. Sofia University, Department of Chemistry, 1164, Sofia, Bulgaria

    B. B. Ivanova, M. G. Arnaudov & St. Todorov

  2. Ruhr University Bochum, Department of Chemistry, 44780, Bochum, Germany

    W. S. Sheldrick & H. Mayer-Figge

Authors
  1. B. B. Ivanova
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  2. M. G. Arnaudov
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  3. St. Todorov
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  4. W. S. Sheldrick
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  5. H. Mayer-Figge
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Corresponding author

Correspondence to M. G. Arnaudov.

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Ivanova, B.B., Arnaudov, M.G., Todorov, S. et al. Structural analysis of the tripeptide glycyle-methionyl-glycine (H-Gly-Met-Gly-OH) and its hydrochloride. Struct Chem 17, 49–56 (2006). https://doi.org/10.1007/s11224-006-9034-0

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  • DOI: https://doi.org/10.1007/s11224-006-9034-0

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