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The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 Å resolution and 100 K: The role of the water structure and its contribution to binding by Mary Gregoriou; Martin E. M. Noble; Kimberly A. Watson; Elspeth F. Garman; Louise N. Johnson; Thomas M. Krulle; Carmen De La Fuetene; George W.J. Fleet; Nikos G. Oikonomakos is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

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## Abstract A glucopyranose spirohydantoin (a pyranose analogue of the potent herbicide, hydantocidin) has been identified as the highest affinity glucose analogue inhibitor of glycogen phosphorylase b (GPb). In order to elucidate the structural features that contribute to the binding, the structures of GPb in the native T state conformation and in complex with glucopyranose spirohydantoin have been determined at 100 K to 2.0 Å and 1.8 Å resolution, respectively, and refined to crystallographic __R__ values of 0.197 (__R~free~__ 0.248) and 0.182 (__R~free~__ 0.229), respectively. The low temperature structure of GPb is almost identical to that of the previously determined room temperature structure, apart from a decrease in overall atomic temperature factors (〈__B__〉 room temperature GPb = 34.9 Å^2^; 〈__B__〉 100 K GPb = 23.4 Å^2^). The glucopyranose spirohydantoin inhibitor (__K^i^__ = 3.0 μM) binds at the catalytic site and induces small changes in two key regions of the protein: the 280s loop (residues 281‐286) that results in a decrease in mobility of this region, and the 380s loop (residues 377‐385) that undergoes more significant shifts in order to optimize contact to the liga

Who reads The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 Å resolution and 100 K: The role of the water structure and its contribution to binding?

Author

Mary Gregoriou; Martin E. M. Noble; Kimberly A. Watson; Elspeth F. Garman; Louise N. Johnson; Thomas M. Krulle; Carmen De La Fuetene; George W.J. Fleet; Nikos G. Oikonomakos

Publisher

Cold Spring Harbor Laboratory Press; Wiley (John Wiley & Sons); Wiley-Blackwell; Wiley (ISSN 0961-8368)

Published

1998

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Life Sciences)