title: Water-mediated ionic interactions in protein structures.
abstract: It is well known that water molecules play an indispensable role in the structure and function of biological macromolecules. The water-mediated ionic interactions between the charged residues provide stability and plasticity and in turn address the function of the protein structures. Thus, this study specifically addresses the number of possible water-mediated ionic interactions, their occurrence, distribution and nature found in 90% non-redundant protein chains. Further, it provides a statistical report of different charged residue pairs that are mediated by surface or buried water molecules to form the interactions. Also, it discusses its contributions in stabilizing various secondary structural elements of the protein. Thus, the present study shows the ubiquitous nature of the interactions that imparts plasticity and flexibility to a protein molecule.
authors.affiliation: Bioinformatics Centre, Centre of Excellence in Structural Biology and Bio-computing, Indian Institute of Science, Bangalore 560012, India.
authors.forename: R
authors.initials: R
authors.lastname: Sabarinathan
authors.forename: K
authors.initials: K
authors.lastname: Aishwarya
authors.forename: R
authors.initials: R
authors.lastname: Sarani
authors.forename: M Kirti
authors.initials: MK
authors.lastname: Vaishnavi
authors.forename: K
authors.initials: K
authors.lastname: Sekar
mesh_terms: D000595:Amino Acid Sequence; D024342:Amino Acids, Acidic / Q000737:chemistry; D024361:Amino Acids, Basic / Q000737:chemistry; D053181:Caspase 8 / Q000737:chemistry; D006860:Hydrogen Bonding; D008958:Models, Molecular; D011487:Protein Conformation; D055550:Protein Stability; D011506:Proteins / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D024342:Amino Acids, Acidic; D024361:Amino Acids, Basic; D011506:Proteins; D014867:Water; D053181:Caspase 8