000130216 001__ 130216 000130216 005__ 20240228143416.0 000130216 0247_ $$2doi$$a10.1002/elps.201500403 000130216 0247_ $$2pmid$$apmid:26627117 000130216 0247_ $$2ISSN$$a0173-0835 000130216 0247_ $$2ISSN$$a1522-2683 000130216 037__ $$aDKFZ-2017-05296 000130216 041__ $$aeng 000130216 082__ $$a570 000130216 1001_ $$aNachbar, Markus$$b0 000130216 245__ $$aCa(2+) -complex stability of GAPAGPLIVPY peptide in gas and aqueous phase, investigated by affinity capillary electrophoresis and molecular dynamics simulations and compared to mass spectrometric results. 000130216 260__ $$aWeinheim$$bWiley-Blackwell$$c2016 000130216 3367_ $$2DRIVER$$aarticle 000130216 3367_ $$2DataCite$$aOutput Types/Journal article 000130216 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1522134631_24184 000130216 3367_ $$2BibTeX$$aARTICLE 000130216 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000130216 3367_ $$00$$2EndNote$$aJournal Article 000130216 520__ $$aStrong, sequence-specific gas-phase bindings between proline-rich peptides and alkaline earth metal ions in nanoESI-MS experiments were reported by Lehmann et al. (Rapid Commun. Mass Spectrom. 2006, 20, 2404-2410), however its relevance for physiological-like aqueous phase is uncertain. Therefore, the complexes should also be studied in aqueous solution and the relevance of the MS method for binding studies be evaluated. A mobility shift ACE method was used for determining the binding between the small peptide GAPAGPLIVPY and various metal ions in aqueous solution. The findings were compared to the MS results and further explained using computational methods. While the MS data showed a strong alkaline earth ion binding, the ACE results showed nonsignificant binding. The proposed vacuum state complex also decomposed during a molecular dynamic simulation in aqueous solution. This study shows that the formed stable peptide-metal ion adducts in the gas phase by ESI-MS does not imply the existence of analogous adducts in the aqueous phase. Comparing peptide-metal ion interaction under the gaseous MS and aqueous ACE conditions showed huge difference in binding behavior. 000130216 536__ $$0G:(DE-HGF)POF3-312$$a312 - Functional and structural genomics (POF3-312)$$cPOF3-312$$fPOF III$$x0 000130216 588__ $$aDataset connected to CrossRef, PubMed, 000130216 650_7 $$2NLM Chemicals$$aGases 000130216 650_7 $$2NLM Chemicals$$aPeptides 000130216 650_7 $$0SY7Q814VUP$$2NLM Chemicals$$aCalcium 000130216 7001_ $$aEl Deeb, Sami$$b1 000130216 7001_ $$aMozafari, Mona$$b2 000130216 7001_ $$aAlhazmi, Hassan A$$b3 000130216 7001_ $$aPreu, Lutz$$b4 000130216 7001_ $$aRedweik, Sabine$$b5 000130216 7001_ $$0P:(DE-HGF)0$$aLehmann, Wolf Dieter$$b6 000130216 7001_ $$aWätzig, Hermann$$b7 000130216 773__ $$0PERI:(DE-600)1475486-1$$a10.1002/elps.201500403$$gVol. 37, no. 5-6, p. 744 - 751$$n5-6$$p744 - 751$$tElectrophoresis$$v37$$x0173-0835$$y2016 000130216 909CO $$ooai:inrepo02.dkfz.de:130216$$pVDB 000130216 9101_ $$0I:(DE-588b)2036810-0$$6P:(DE-HGF)0$$aDeutsches Krebsforschungszentrum$$b6$$kDKFZ 000130216 9131_ $$0G:(DE-HGF)POF3-312$$1G:(DE-HGF)POF3-310$$2G:(DE-HGF)POF3-300$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bGesundheit$$lKrebsforschung$$vFunctional and structural genomics$$x0 000130216 9141_ $$y2016 000130216 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz 000130216 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS 000130216 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline 000130216 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database 000130216 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bELECTROPHORESIS : 2015 000130216 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List 000130216 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index 000130216 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection 000130216 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded 000130216 915__ $$0StatID:(DE-HGF)1030$$2StatID$$aDBCoverage$$bCurrent Contents - Life Sciences 000130216 915__ $$0StatID:(DE-HGF)1050$$2StatID$$aDBCoverage$$bBIOSIS Previews 000130216 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5 000130216 9201_ $$0I:(DE-He78)W160-20160331$$kW160$$lMolekulare Strukturanalyse$$x0 000130216 980__ $$ajournal 000130216 980__ $$aVDB 000130216 980__ $$aI:(DE-He78)W160-20160331 000130216 980__ $$aUNRESTRICTED