About: Molecular dynamics study of major urinary protein-pheromone interactions: A structural model for ligand-induced flexibility increase

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About: Molecular dynamics study of major urinary protein-pheromone interactions: A structural model for ligand-induced flexibility increase Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Recently, two independent 15N NMR relaxation studies indicated that in contrast to the decreased flexibility expected for induced-fit interactions, the backbone flexibility of major urinary protein isoform I (MUP-I) slightly increased upon complex formation with its natural pheromone 2-sec-butyl-4,5-dihydrothiazol. We have investigated the subtle details of molecular interactions by molecular dynamics simulations in explicit solvent. The calculated order parameters S2 for a free- and ligand-bound protein supply evidence that mobility in various regions of MUP-I can be directly related to small conformational changes of the free- and complexed protein resulting from modifications of the hydrogen bonding network. Recently, two independent 15N NMR relaxation studies indicated that in contrast to the decreased flexibility expected for induced-fit interactions, the backbone flexibility of major urinary protein isoform I (MUP-I) slightly increased upon complex formation with its natural pheromone 2-sec-butyl-4,5-dihydrothiazol. We have investigated the subtle details of molecular interactions by molecular dynamics simulations in explicit solvent. The calculated order parameters S2 for a free- and ligand-bound protein supply evidence that mobility in various regions of MUP-I can be directly related to small conformational changes of the free- and complexed protein resulting from modifications of the hydrogen bonding network. (en)
Title	Molecular dynamics study of major urinary protein-pheromone interactions: A structural model for ligand-induced flexibility increase Molecular dynamics study of major urinary protein-pheromone interactions: A structural model for ligand-induced flexibility increase (en)
skos:prefLabel	Molecular dynamics study of major urinary protein-pheromone interactions: A structural model for ligand-induced flexibility increase Molecular dynamics study of major urinary protein-pheromone interactions: A structural model for ligand-induced flexibility increase (en)
skos:notation	RIV/00216224:14310/06:00017608!RIV10-MSM-14310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LC06030), Z(MSM 143100005), Z(MSM0021622413)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Novák, Petr Macek, Pavel Sklenář, Vladimír Žídek, Lukáš
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	486610
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/06:00017608
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Major urinary protein; Molecular dynamics simulation; Pheromone–protein interaction; Molecular motion; TZL; Order parameter (en)
http://linked.open.../riv/klicoveSlovo	Molecular dynamics simulation Major urinary protein Molecular motion Order parameter Pheromone–protein interaction TZL
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[A73A4E706198]
http://linked.open...i/riv/nazevZdroje	FEBS Letters
http://linked.open...in/vavai/riv/obor	CE
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Biomolecular centre
http://linked.open...UplatneniVysledku	2006
http://linked.open...v/svazekPeriodika	580
http://linked.open...iv/tvurceVysledku	Křížová, Hana Novák, Petr Sklenář, Vladimír Žídek, Lukáš Macek, Pavel
http://linked.open...n/vavai/riv/zamer	Proteiny v metabolismu a při interakci organismů s prostředím http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20143100005
issn	0014-5793
number of pages	3 (xsd:int)
http://localhost/t...ganizacniJednotka	14310

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