Universität zu Köln

Peckelsen, Katrin, Martens, Jonathan ORCID: 0000-0001-9537-4117, Berden, Giel, Oomens, Jos ORCID: 0000-0002-2717-1278, Dunbar, Robert C., Meijer, Anthony J. H. M. and Schaefer, Mathias ORCID: 0000-0002-5943-4335 (2017). Gas-phase complexes of Ni2+ and Ca2+ with deprotonated histidylhistidine (HisHis): A model case for polyhistidyl-metal binding motifs. J. Mol. Spectrosc., 332. S. 38 - 45. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

In the complex formed between the calcium cation (Ca2+) and a deprotonated HisHis dipeptide, the complex adopts a charge solvation (CS) structure. Ca2+% a weak binding main group metal cation, interacts with the oxygens of the peptide carbonyl moiety and the deprotonated C-terminus. In contrast, the much stronger binding Ni2+ cation deprotonates the peptide nitrogen and induces an iminolate (Im) ligand structure in the [Ni(HisHis-H)](+) complex ion. The combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and quantum chemistry evidence these two representative binding motifs. The iminolate coordination pattern identified and characterized in the [Ni(HisHis-H)](+) complex serves as a model case for nickel complexes of poly-histidyl-domains and is thereby also of interest to better understand the fundamentals of immobilized metal ion affinity chromatography as well as of Ni co-factor chemistry in enzymology. (C) 2016 Elsevier Inc. All rights reserved.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Peckelsen, Katrin UNSPECIFIED UNSPECIFIED UNSPECIFIED Martens, Jonathan UNSPECIFIED orcid.org/0000-0001-9537-4117 UNSPECIFIED Berden, Giel UNSPECIFIED UNSPECIFIED UNSPECIFIED Oomens, Jos UNSPECIFIED orcid.org/0000-0002-2717-1278 UNSPECIFIED Dunbar, Robert C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Meijer, Anthony J. H. M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Schaefer, Mathias UNSPECIFIED orcid.org/0000-0002-5943-4335 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-241147
DOI:	10.1016/j.jms.2016.10.008
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	332
Page Range:	S. 38 - 45
Date:	2017
Publisher:	ACADEMIC PRESS INC ELSEVIER SCIENCE
Place of Publication:	SAN DIEGO
ISSN:	1096-083X
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Organic Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language ION COMPLEXES; AMYLOID-BETA; SPECTROSCOPY; HISTIDINE; HYDROGEN; ELUCIDATION; PEPTIDES; PROTEINS; AFFINITY; LIGANDS Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/24114