1e2b

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NMR STRUCTURE OF THE C10S MUTANT OF ENZYME IIB CELLOBIOSE OF THE PHOSPHOENOL-PYRUVATE DEPENDENT PHOSPHOTRANSFERASE SYSTEM OF ESCHERICHIA COLI, 17 STRUCTURES

Overview

The assignment of the side-chain NMR resonances and the determination of, the three-dimensional solution structure of the C10S mutant of enzyme, IIBcellobiose (IIBcel) of the phosphoenolpyruvate-dependent, phosphotransferase system of Escherichia coli are presented. The, side-chain resonances were assigned nearly completely using a variety of, mostly heteronuclear NMR experiments, including HCCH-TOCSY, HCCH-COSY, and, COCCH-TOCSY experiments as well as CBCACOHA, CBCA(CO)NH, and, HBHA(CBCA)(CO)NH experiments. In order to obtain the three-dimensional, structure, NOE data were collected from 15N-NOESY-HSQC, 13C-HSQC-NOESY, and 2D NOE experiments. The distance restraints derived from these NOE, data were used in distance geometry calculations followed by molecular, dynamics and simulated annealing protocols. In an iterative procedure, additional NOE assignments were derived from the calculated structures and, new structures were calculated. The final set of structures, calculated, with approximately 2000 unambiguous and ambiguous distance restraints, has, an rms deviation of 1.1 A on C alpha atoms. IIBcel consists of a four, stranded parallel beta-sheet, in the order 2134. The sheet is flanked with, two and three alpha-helices on either side. Residue 10, a cysteine in the, wild-type enzyme, which is phosphorylated during the catalytic cycle, is, located at the end of the first beta-strand. A loop that is proposed to be, involved in the binding of the phosphoryl-group follows the cysteine. The, loop appears to be disordered in the unphosphorylated state.

About this Structure

1E2B is a Single protein structure of sequence from Escherichia coli. Active as Protein-N(pi)-phosphohistidine--sugar phosphotransferase, with EC number 2.7.1.69 Full crystallographic information is available from OCA.

Reference

The NMR side-chain assignments and solution structure of enzyme IIBcellobiose of the phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli., Ab E, Schuurman-Wolters G, Reizer J, Saier MH, Dijkstra K, Scheek RM, Robillard GT, Protein Sci. 1997 Feb;6(2):304-14. PMID:9041631

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