Interaction of deoxyribonucleic acid with deoxyribonucleic acid-binding protein from starved cells: cluster formation and crystal growing as a model of initial stages of nucleoid biocrystallizationстатья
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Аннотация:Paper represents the study of DNA-DPS (DNA binding protein from starved cells – это правильное название белка на английском языке, просьба не изменять) cluster formation and crystal growing within a cell. This study is a part of a project that includes ESRF synchrotron investigations of in vivo and in vitro nanocrystallization processes of E. coli nucleoid under stress condition combined with theoretical molecular dynamics approaches. Nucleoid biocrystallization is adaptive mechanism of bacterial cells under stress and poorly understood at present time. Understanding of the process of crystal formation is a very important for molecular biology, pharmaceuticals and other areas. In the simulation part the coarse-grained modeling of various combinations of the following molecules was used: DPS proteins (from 1 to 108 DPS dodecamers on simulation box), 24 b.p. short DNA fragments (from 1 to 100 on simulation box) and 161 b.p. part of pBluescript SK + plasmide in the presents of ions. We defined structural, energetic and dynamic properties of DPS-DPS and DPS-DNA complexes in clusters and crystals that allow us to predict crystal formation and the structure of these crystals in experimental systems.