![]() MIB also provides the metal ions docking after prediction. Twelve kinds of metal ions (Ca 2+, Cu 2+, Fe 3+, Mg 2+, Mn 2+, Zn 2+, Cd 2+, Fe 2+, Ni 2+, Hg 2+, Co 2+, and Cu +) binding residues prediction are supported. Through the adjustment of scoring functions, which are based on the similarity of structure and binding residues. The classical type of complex has a central metal ion surrounded by coordinating ligands, with little electronic delocalization between them, such that the ligand metal bonding is essentially ionic. The templates include residues within 3.5 Å of the metal ion, and the fragment transformation method was used for structural comparison between query proteins and templates without any data training. Binding templates have been constructed for regions that bind 12 types of metal ion-binding residues have been used to construct binding templates. The web server reported here was built to predict metal ion-binding residues and to generate the predicted metal ion-bound 3D structure. Ligands can be ions as in the complex ion CoCl42- In this. However, experimental approaches are time-consuming and costly. For example Cu(H2O)62+ has 6 water molecules (ligands) attracted to the ion by ion-dipole bonding. Identifying and characterizing metal ion-binding sites is thus essential for investigating a protein's function(s) and interactions. ![]() The Protein Data Bank currently contains more than 110 000 protein structures, approximately one-third of which contain metal ions. The structure of a protein determines its biological function(s) and its interactions with other factors the binding regions tend to be conserved in sequence and structure, and the interacting residues involved are usually in close 3D space.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |