INCREASED DYNAMICS OF MUP-I IN PRESENCE OF LIGAND: EVIDENCE FROM MD SIMULATION AND NMR SPIN RELAXATION

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F04%3A00011153" target="_blank" >RIV/00216224:14310/04:00011153 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
INCREASED DYNAMICS OF MUP-I IN PRESENCE OF LIGAND: EVIDENCE FROM MD SIMULATION AND NMR SPIN RELAXATION
Original language description
Nowadays it is accepted that the structure of proteins must be treated as a time-dependent model, where fluctuations about an average structure are present. To gain insight into how dynamical properties of major urinary protein (MUP-I) change in presenceof a ligand, the picosecond to nanosecond time scale dynamics of MUP-I have been studied by the MD simulations and by the NMR spin relaxation experiments. Dynamic properties of MUP-I upon ligand binding is in contrast with those that are typical for most proteins. Backbone NMR 15N relaxation results show a small but significant increase of order parameters (S2), indicating that the molecule maintains its overall molecular shape and structure upon the ligand binding, while the backbone dynamics is inreased. Molecular dynamic simulations performed with and without the ligand produce results consistent with NMR measurements and confirm X-ray difraction results, showing qualitative agreement amongst these three methods. Furthermore careful
Czech name
ZVÝŠENÁ DYNAMIKA MUP-I V PŘÍTOMNOSTI LIGANDU: DůKAZ POMOCÍ MD SIMULACE A NMR RELAXACE
Czech description
Molekulová dynamika stejně jako NMR relaxační měření prokázalo zvýšenou flexibilitu proteinu MUP-I v přítomnosti ligandu v porovnání s flexibilitou proteinu bez ligandu.

Project
<a href="/en/project/LN00A016" target="_blank" >LN00A016: BIOMOLECULAR CENTER</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2004
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection
VIII. Pracovní setkání biochemiků a molekulárních biologů
ISBN
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ISSN
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e-ISSN
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Number of pages
1
Pages from-to
31-31
Publisher name
Masarykova universita v Brně Přírodovědecká fakulta a Česká společnost pro biochemii a molekulární biologii
Place of publication
Brno
Event location
Brno, Czech Republic
Event date
Feb 3, 2004
Type of event by nationality
CST - Celostátní akce
UT code for WoS article
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