Journal article
Critical Assessment of the Strength of Hydrogen Bonds between the Sulfur Atom of Methionine/Cysteine and Backbone Amides in Proteins
The journal of physical chemistry letters, Vol.6(8), pp.1385-1389
04/16/2015
DOI: 10.1021/acs.jpclett.5b00491
PMID: 26263139
Abstract
Gas-phase vibrational spectroscopy, coupled cluster (CCSD(T)), and dispersion corrected density functional (B97-D3) methods are employed to characterize surprisingly strong sulfur center H-bonded (SCHB) complexes between cis and trans amide NH and S atom of methionine and cysteine side chain. The amide N-H···S H-bonds are compared with the representative classical σ- and π-type H-bonded complexes such as N-H···O, N-H···O═C and N-H···π H-bonds. With the spectroscopic, theoretical, and structural evidence, amide N-H···S H-bonds are found to be as strong as the classical σ-type H-bonds, despite the smaller electronegativity of sulfur in comparison to oxygen. The strength of backbone-amide N-H···S H-bonds in cysteine and methionine containing peptides and proteins are also investigated and found to be of similar magnitudes as those observed in the intermolecular model complexes studied in this work. All such SCHBs also confirm that the electronegativities of the acceptors are not the sole criteria to predict the H-bond strength.
Details
- Title: Subtitle
- Critical Assessment of the Strength of Hydrogen Bonds between the Sulfur Atom of Methionine/Cysteine and Backbone Amides in Proteins
- Creators
- V Rao Mundlapati - †School of Chemical Sciences, National Institute of Science Education and Research, Institute of Physics Campus, Sachivalaya Marg, PO: Sainik School, Bhubaneswar 751 005, IndiaSanat Ghosh - ‡Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai 400 005, IndiaAditi Bhattacherjee - §Chemical Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, United StatesPrince Tiwari - †School of Chemical Sciences, National Institute of Science Education and Research, Institute of Physics Campus, Sachivalaya Marg, PO: Sainik School, Bhubaneswar 751 005, IndiaHimansu S Biswal - †School of Chemical Sciences, National Institute of Science Education and Research, Institute of Physics Campus, Sachivalaya Marg, PO: Sainik School, Bhubaneswar 751 005, India
- Resource Type
- Journal article
- Publication Details
- The journal of physical chemistry letters, Vol.6(8), pp.1385-1389
- DOI
- 10.1021/acs.jpclett.5b00491
- PMID
- 26263139
- ISSN
- 1948-7185
- eISSN
- 1948-7185
- Grant note
- name: INSPIRE Faculty Award, DST, India, award: IFA11-CH-01
- Language
- English
- Date published
- 04/16/2015
- Academic Unit
- Chemistry
- Record Identifier
- 9984216593002771
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