title: Comparison of protein-water interactions in psychrophilic, mesophilic, and thermophilic Fe-SOD.
abstract: Iron superoxide dismutase (Fe-SOD) can eliminate superoxide anion radicals and is widely used in pharmaceuticals, cosmetics and foodstuff. It's significant to determine the factors that influence Fe-SOD thermostability. Previous studies have focused on the relationship between the structural parameters and thermostability of Fe-SOD while the contribution of water molecules was overlooked. In this study, we examined the relationship between hydration waters and Fe-SOD thermostability. The Voronoi polyhedra method was used to explore the distribution of hydration waters around the Fe-SODs and it was interesting to find that the distribution of hydration waters is related to the B-factor of amino acids, i.e., the flexibility of residues can affect the distribution of waters. Protein-water and water-water hydrogen bonds were examined. We found that the hydrogen bond density in thermophilic Fe-SOD was higher than that in mesophilic Fe- SOD. In addition, larger hydrogen bond networks that involve more waters covered the thermophilic Fe-SOD.
authors.forename: Zhaolin
authors.initials: Z
authors.lastname: Mou
authors.forename: Yanrui
authors.initials: Y
authors.lastname: Ding
authors.forename: Xueqin
authors.initials: X
authors.lastname: Wang
authors.affiliation: No.1800, Lihu Road, Jiangnan University, Wuxi, Jiangsu PR, China. yr_ding@jiangnan.edu.cn.
authors.forename: Yujie
authors.initials: Y
authors.lastname: Cai
mesh_terms: D044165:Aliivibrio salmonicida / Q000737:chemistry / Q000201:enzymology* / Q000378:metabolism; D006860:Hydrogen Bonding; D008958:Models, Molecular; D055550:Protein Stability; D031161:Pseudoalteromonas / Q000737:chemistry / Q000201:enzymology* / Q000378:metabolism; D013482:Superoxide Dismutase / Q000737:chemistry* / Q000378:metabolism; D046940:Synechococcus / Q000737:chemistry / Q000201:enzymology* / Q000378:metabolism; D013696:Temperature; D014867:Water / Q000737:chemistry* / Q000378:metabolism
chemical_list: D014867:Water; D013482:Superoxide Dismutase