"Invisible" Conformers of an Antifungal Disulfide Protein Revealed by Constrained Cold and Heat Unfolding, CEST-NMR Experiments, and Molecular Dynamics Calculations.

Fizil Ádám; Gáspári Zoltán; Barna Teréz; Marx F; Batta Gyula: "Invisible" Conformers of an Antifungal Disulfide Protein Revealed by Constrained Cold and Heat Unfolding, CEST-NMR Experiments, and Molecular Dynamics Calculations.
CHEMISTRY-A EUROPEAN JOURNAL, 21 (13). pp. 5136-5144. ISSN 0947-6539 (2015)

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Folyóiratcikk

Szerző azonosítók:

Név	ORCID	MTMT szerző azonosító
Fizil Ádám	0000-0002-4815-5744	10032847
Gáspári Zoltán		10001271
Barna Teréz		10028985
Marx F
Batta Gyula	0000-0002-0442-1828	10007156

Absztrakt (kivonat):

Transition between conformational states in proteins is being recognized as a possible key factor of function. In support of this, hidden dynamic NMR structures were detected in several cases up to populations of a few percent. Here, we show by two- and three-state analysis of thermal unfolding, that the population of hidden states may weight 20-40 % at 298 K in a disulfide-rich protein. In addition, sensitive (15) N-CEST NMR experiments identified a low populated (0.15 %) state that was in slow exchange with the folded PAF protein. Remarkably, other techniques failed to identify the rest of the NMR "dark matter". Comparison of the temperature dependence of chemical shifts from experiments and molecular dynamics calculations suggests that hidden conformers of PAF differ in the loop and terminal regions and are most similar in the evolutionary conserved core. Our observations point to the existence of a complex conformational landscape with multiple conformational states in dynamic equilibrium, with diverse exchange rates presumably responsible for the completely hidden nature of a considerable fraction.

Folyóirat/kiadvány címe:

CHEMISTRY-A EUROPEAN JOURNAL

Évszám:

2015

Kötet:

Szám:

Oldalak:

pp. 5136-5144

ISSN:

0947-6539

Intézmény:

Pázmány Péter Katolikus Egyetem

Kar:

Információs Technológiai és Bionikai Kar (2013.07.-)

Nyelv:

angol

MTMT rekordazonosító:

2871042

Dátum:

2024. Okt. 24. 14:18

Utolsó módosítás:

2024. Okt. 24. 14:18

URI:

https://publikacio.ppke.hu/id/eprint/1469

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