De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.

ABSTRACT: De novo design provides an attractive approach to test the mechanism by which metalloproteins define the geometry and reactivity of their metal ion cofactors. While there has been considerable progress in designing proteins that bind transition metal ions including iron-sulfur clusters, the design of tetranuclear clusters with oxygen-rich environments has not been accomplished. Here, we describe the design of tetranuclear clusters, consisting of four Zn²⁺ and four carboxylate oxygens situated at the vertices of a distorted cube-like structure. The tetra-Zn²⁺ clusters are bound at a buried site within a four-helix bundle, with each helix donating a single carboxylate (Glu or Asp) and imidazole (His) ligand, as well as second- and third-shell ligands. Overall, the desig

SUBMITTER: Zhang SQ 

PROVIDER: S-EPMC5860638 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature