title: Ion pairs in non-redundant protein structures.
abstract: Ion pairs contribute to several functions including the activity of catalytic triads, fusion of viral membranes, stability in thermophilic proteins and solvent-protein interactions. Furthermore, they have the ability to affect the stability of protein structures and are also a part of the forces that act to hold monomers together. This paper deals with the possible ion pair combinations and networks in 25% and 90% non-redundant protein chains. Different types of ion pairs present in various secondary structural elements are analysed. The ion pairs existing between different subunits of multisubunit protein structures are also computed and the results of various analyses are presented in detail. The protein structures used in the analysis are solved using X-ray crystallography, whose resolution is better than or equal to 1.5 A and R-factor better than or equal to 20%. This study can, therefore, be useful for analyses of many protein functions. It also provides insights into the better understanding of the architecture of protein structure.
authors.affiliation: Bioinformatics Centre (Centre of Excellence in Structural Biology and Bio-computing), Indian Institute of Science, Bangalore, India.
authors.forename: B A
authors.initials: BA
authors.lastname: Gowri Shankar
authors.forename: R
authors.initials: R
authors.lastname: Sarani
authors.forename: Daliah
authors.initials: D
authors.lastname: Michael
authors.forename: P
authors.initials: P
authors.lastname: Mridula
authors.forename: C Vasuki
authors.initials: CV
authors.lastname: Ranjani
authors.forename: G
authors.initials: G
authors.lastname: Sowmiya
authors.forename: B
authors.initials: B
authors.lastname: Vasundhar
authors.forename: P
authors.initials: P
authors.lastname: Sudha
authors.forename: J
authors.initials: J
authors.lastname: Jeyakanthan
authors.forename: D
authors.initials: D
authors.lastname: Velmurugan
authors.forename: K
authors.initials: K
authors.lastname: Sekar
mesh_terms: D018360:Crystallography, X-Ray; D007477:Ions; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D007477:Ions; D011506:Proteins