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A systematic method for analysing the protein hydration structure of T4 lysozyme
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SYSNO ASEP 0396329 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title A systematic method for analysing the protein hydration structure of T4 lysozyme Author(s) Kysilka, Jiří (UOCHB-X)
Vondrášek, Jiří (UOCHB-X) RID, ORCIDNumber of authors 2 Source Title Journal of Molecular Recognition. - : Wiley - ISSN 0952-3499
Roč. 26, č. 10 (2013), s. 479-487Number of pages 9 s. Language eng - English Country GB - United Kingdom Keywords protein hydration structure ; water ; X-ray crystallography ; cluster algorithm ; interaction enthalpy Subject RIV CE - Biochemistry R&D Projects GAP208/10/0725 GA ČR - Czech Science Foundation (CSF) LH11020 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Institutional support UOCHB-X - RVO:61388963 UT WOS 000323674900006 EID SCOPUS 84883282848 DOI 10.1002/jmr.2290 Annotation 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. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2014
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