Refined crystal structure of the phosphorylase-heptulose 2-phosphate-oligosaccharide-AMP complex

Journal of Molecular Biology
L N JohnsonP J McLaughlin

Abstract

The crystal structure of phosphorylase b-heptulose 2-phosphate complex with oligosaccharide and AMP bound has been refined by molecular dynamics and crystallographic least-squares with the program XPLOR. Shifts in atomic positions of up to 4 A from the native enzyme structure were correctly determined by the program without manual intervention. The final crystallographic R value for data between 8 and 2.86 A resolution is 0.201, and the overall root-mean-square difference between the native and complexed structure is 0.58 A for all protein atoms. The results confirm the previous observation that there is a direct hydrogen bond between the phosphate of heptulose 2-phosphate and the pyridoxal phosphate 5'-phosphate group. The close proximity of the two phosphates is stabilized by an arginine residue, Arg569, which shifts from a site buried in the protein to a position where it can make contact with the product phosphate. There is a mutual interchange in position between the arginine and an acidic group, Asp283. These movements represent the first stage of the allosteric response which converts the catalytic site from a low to a high-affinity binding site. Communication of these changes to other sites is prevented in the crystal b...Continue Reading

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Citations

Apr 1, 1992·Protein Science : a Publication of the Protein Society·D Barford, L N Johnson
Oct 1, 1993·Protein Science : a Publication of the Protein Society·H MoriT Fukui
Mar 1, 1994·Protein Science : a Publication of the Protein Society·E J Helmreich
Aug 1, 1994·Protein Science : a Publication of the Protein Society·E M DukeL N Johnson
Dec 1, 1995·Protein Science : a Publication of the Protein Society·N G OikonomakosK R Acharya
Dec 1, 1996·Protein Science : a Publication of the Protein Society·N G OikonomakosK R Acharya
Jan 1, 1989·Carlsberg Research Communications·L N Johnson
Sep 10, 2002·Journal of Molecular Biology·S GeremiaL N Johnson
Oct 1, 1994·Nature Structural Biology·V L Rath, R J Fletterick
Oct 24, 1995·Proceedings of the National Academy of Sciences of the United States of America·Y BourneJ A Tainer
Aug 13, 2011·The Journal of Biological Chemistry·Sulochanadevi BaskaranThomas D Hurley
Aug 22, 2003·Protein Science : a Publication of the Protein Society·Nikos PinotsisIrene M Mavridis
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