Probing of Cu2+ ions binding to A β (5−16) peptide using ITC measurements and MD simulations

• Autorzy: Makowska J. , Żmudzińska W. , Wyrzykowski D. , Brzozowski K. , Zblewska H. , Chmurzyński L.

Identyfikatory

DOI

10.17466/tq2016/20.4/p

• Języki publikacji: EN

Abstrakty

EN

It is shown that probably three residues: His6, His14 and His16 in the original sequence A β (1−42) serve as metal-binding sites for Cu2+ions. On the other hand, there is a possibility that only one of them plays a crucial role in the formation of the{A β (1-42)-Cu2+} complex. The isothermal titration calorimetry (ITC) measurements supported by molecular dynamic simulation (MD) with the NMR-derived restrains were used to investigate the interactions of Cu2+ with A β(5-16), a fragment of the A β(1-42) protein, with the following sequence: Ac-Arg-His-Asp-Ser-Gly-Tyr-Glu-Val-His-His-Gln-Lys-NH2, termed HZ1. The conditional thermodynamic parameters suggest that the formation of the Cu2+-HZ1 complex is both an enthalpy and entropy driven process under the experimental conditions. The studies presented here (after comparison with our previous results) show that the affinity of peptides to copper metal ions depends on two factors: the primary structure (amino acid composition) and the shape of the peptide conformation adopted.

Słowa kluczowe

EN

A β (5 − 16) fragments; metal-peptide binding; isothermal titration calorimetry; molecular dynamics simulations

• Wydawca: Politechnika Gdańska
• Czasopismo: TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
• Rocznik: 2016
• Tom: Vol. 20, No 4
• Strony: 409--416
• Opis fizyczny: Bibliogr. 24 poz., rys., tab.

Twórcy

autor

Makowska J.

• Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland

autor

Żmudzińska W.

• Laboratory of Biopolymer Structure, Intercollegiate Facu lty of Biotechnology, University of Gdansk–Medical University of Gdansk, Abrahama 58, 80-307 Gdansk, Poland

autor

Wyrzykowski D.

• Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland

autor

Brzozowski K.

• Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland

autor

Zblewska H.

• Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland

autor

Chmurzyński L.

• Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland

Bibliografia

• [1] Crescenzi O, Tomaselli S, Guerrini R, Salvadori S, D’Ursi A M, Temussi P A, Picone D 2002 Eur J Biochem 269 5642
• [2] Dickerson T J, Janda K D 2003 PNAS 100 8183
• [3] Grabowska I, Radecka H, Burza A, Radecki J, Kaliszan M, Kaliszan R 2010 Curr Alzheimer Res 7 165
• [4] Makowska J, Szczęsny D, Lichucka A, Giełdoń A, Chmurzyński L, Kaliszan R 2014 J Chromatography B 968 101
• [5] Lovell M A, Robertson J D, Teesdale W J, Campbell J L, Markesbery W R 1998 J Neurolog Sci 158 47
• [6] Miller L M, Wang Q, Telivala T P, Smith R J, Lanzirotti A, Miklossy J 2006 J Struct Biol 155 30
• [7] Opazo C, Huang X, Cherny R A, Moir R D, Roher A E, White A R, Bush A I 2002 J Biol Chem 27740302
• [8] Jiang D, Zhang L, Grant G P, Dudzik C G,Chen S, Patel S, Hao Y, Millhauser G L, Zhou F 2013 Biochemistry 52 547
• [9] Hureau C, Dorlet P 2012 Coord Chem Rev 2562175
• [10] Kim D, Kim N H, Kim S H 2013 Ang Chem 125 1177
• [11] Makowska J, Żamojć K, Wyrzykowski D, Uber D, Wierzbicka M, Wiczk W, Chmurzyński L 2016 Spectrochim. Acta A 153 451
• [12] Makowska J, Bagińska K, Liwo A, Chmurzyński L, Scheraga H A 2008 Biopolymers 90 724
• [13] Wyrzykowski D, Tesmar A, Jacewicz D, Pranczk J, Chmurzyński L 2014 J Mol Recogn 27 722
• [14] Wyrzykowski D, Pilarski B, Jacewicz D, Chmurzyński L 2013 J Therm Anal Calorim 111 1829
• [15] T.D. Goddard and D.G. Kneller ???? SPARKY 3
• [16] Case D A, Darden T A, Cheatham T E, Simmerling C L, Wang J, Duke R E, Wang B 2010 Amber 11 (No. EPFL-BOOK -150146)
• [17] Weiner S J, Kollman P A, Nguyen D T, Case D A 1986 J Comp Chem 7 230
• [18] Koradi R, Billeter M, W ̈uthrich K 1999 J Mol Graph 14 51
• [19] Shamos M I, Hoey D 1975 Closest-point problems, in Foundations of Computer Science, 16th Annual Symposium on 151
• [20] Rohlf F J 1978 Inf Proc Lett 7 44
• [21] Bentley J L, Friedman J H 1978 IEEE Trans on Comp 2 97
• [22] Bentley J L, Weide B W, Yao A C 1980ACM Trans Math Softw (TOMS)6 563
• [23] Grossoehme N E, Spuches A M, Wilcox D E 2010 J Biol Inorg Chem 15 1183
• [24] Searle M S, Williams D H, Packman L C 1995 Nat Struct Biol 2 999