A systematic method for analysing the protein hydration structure of T4 lysozyme

0396329 - ÚOCHB 2014 RIV GB eng J - Článek v odborném periodiku
Kysilka, Jiří - Vondrášek, Jiří
A systematic method for analysing the protein hydration structure of T4 lysozyme.
Journal of Molecular Recognition. Roč. 26, č. 10 (2013), s. 479-487. ISSN 0952-3499. E-ISSN 1099-1352
Grant CEP: GA ČR GAP208/10/0725; GA MŠMT(CZ) LH11020
Grant ostatní: GA ČR(CZ) GAP302/10/0427
Institucionální podpora: RVO:61388963
Klíčová slova: protein hydration structure * water * X-ray crystallography * cluster algorithm * interaction enthalpy
Kód oboru RIV: CE - Biochemie
Impakt faktor: 2.337, rok: 2013

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.
Trvalý link: http://hdl.handle.net/11104/0224147