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Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F13%3A10191799%21RIV14-GA0-11310___
rdf:type
n10:Vysledek skos:Concept
rdfs:seeAlso
http://dx.doi.org/10.1002/jmr.2290
dcterms:description
A systematic method for the analysis of the hydration structure of proteins is demonstrated on the case study of lysozyme. The method utilises multiple structural data of the same protein deposited in the protein data bank. Clusters of high water occupancy are localised and characterised in terms of their interaction with protein. It is shown that they constitute a network of interconnected hydrogen bonds anchored to the protein molecule. The high occupancy of the clusters does not directly correlate with water-protein interaction energy as was originally hypothesised. The highly occupied clusters rather correspond to the nodes of the hydration network that have the maximum number of hydrogen bonds including both the protein atoms and the surrounding water clusters. A systematic method for the analysis of the hydration structure of proteins is demonstrated on the case study of lysozyme. The method utilises multiple structural data of the same protein deposited in the protein data bank. Clusters of high water occupancy are localised and characterised in terms of their interaction with protein. It is shown that they constitute a network of interconnected hydrogen bonds anchored to the protein molecule. The high occupancy of the clusters does not directly correlate with water-protein interaction energy as was originally hypothesised. The highly occupied clusters rather correspond to the nodes of the hydration network that have the maximum number of hydrogen bonds including both the protein atoms and the surrounding water clusters.
dcterms:title
A systematic method for analysing the protein hydration structure of T4 lysozyme A systematic method for analysing the protein hydration structure of T4 lysozyme
skos:prefLabel
A systematic method for analysing the protein hydration structure of T4 lysozyme A systematic method for analysing the protein hydration structure of T4 lysozyme
skos:notation
RIV/00216208:11310/13:10191799!RIV14-GA0-11310___
n10:predkladatel
n11:orjk%3A11310
n3:aktivita
n7:I n7:P
n3:aktivity
I, P(GAP208/10/0725), P(LH11020)
n3:cisloPeriodika
10
n3:dodaniDat
n8:2014
n3:domaciTvurceVysledku
n5:5495849
n3:druhVysledku
n15:J
n3:duvernostUdaju
n20:S
n3:entitaPredkladatele
n19:predkladatel
n3:idSjednocenehoVysledku
59137
n3:idVysledku
RIV/00216208:11310/13:10191799
n3:jazykVysledku
n14:eng
n3:klicovaSlova
interaction enthalpy; cluster algorithm; X-ray crystallography; water; protein hydration structure
n3:klicoveSlovo
n6:water n6:cluster%20algorithm n6:protein%20hydration%20structure n6:interaction%20enthalpy n6:X-ray%20crystallography
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[B339E2C12154]
n3:nazevZdroje
Journal of Molecular Recognition
n3:obor
n4:CE
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
2
n3:projekt
n13:GAP208%2F10%2F0725 n13:LH11020
n3:rokUplatneniVysledku
n8:2013
n3:svazekPeriodika
26
n3:tvurceVysledku
Kysilka, Jiří Vondrášek, Jiří
n3:wos
000323674900006
s:issn
0952-3499
s:numberOfPages
9
n18:doi
10.1002/jmr.2290
n21:organizacniJednotka
11310