Location dependent coordination chemistry and MRI relaxivity, in de novo designed lanthanide coiled coils
Matthew R. Berwick, a Louise N. Slope, a Caitlin F. Smith, a Siobhan M. King, a Sarah L. Newton, a Richard B. Gillis, bc Gary G. Adams, bc Arthur J. Rowe, b Stephen E. Harding, b Melanie M. Britton a and Anna F. A. Peacock * a Chem. Sci. , 2016, Advance Article Received 28th October 2015 Accepted 22nd December 2015 DOI: 10.1039/c5sc04101e http://pubs.rsc.org/en/Content/ArticleLanding/2016/SC/C5SC04101E#!divAbstract Herein, we establish for the first time the design principles for lanthanide coordination within coiled coils, and the important consequences of binding site translation. By interrogating design requirements and by systematically translating binding site residues, one can influence coiled coil stability and more importantly, the lanthanide coordination chemistry. A 10 Å binding site translation along a coiled coil, transforms a coordinatively saturated Tb(Asp) 3 (Asn) 3 site into one in which three exogenous water molecules...