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PDBsum entry 1e2b
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References listed in PDB file
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Key reference
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Title
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The nmr side-Chain assignments and solution structure of enzyme iibcellobiose of the phosphoenolpyruvate-Dependent phosphotransferase system of escherichia coli.
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Authors
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E.Ab,
G.Schuurman-Wolters,
J.Reizer,
M.H.Saier,
K.Dijkstra,
R.M.Scheek,
G.T.Robillard.
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Ref.
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Protein Sci, 1997,
6,
304-314.
[DOI no: ]
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PubMed id
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Abstract
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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.
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Secondary reference #1
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Title
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Enzyme iibcellobiose of the phosphoenol-Pyruvate-Dependent phosphotransferase system of escherichia coli: backbone assignment and secondary structure determined by three-Dimensional nmr spectroscopy.
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Authors
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E.Ab,
G.K.Schuurman-Wolters,
M.H.Saier,
J.Reizer,
M.Jacuinod,
P.Roepstorff,
K.Dijkstra,
R.M.Scheek,
G.T.Robillard.
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Ref.
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Protein Sci, 1994,
3,
282-290.
[DOI no: ]
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PubMed id
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Secondary reference #2
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Title
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Characterization and nucleotide sequence of the cryptic cel operon of escherichia coli k12.
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Authors
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L.L.Parker,
B.G.Hall.
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Ref.
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Genetics, 1990,
124,
455-471.
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PubMed id
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Secondary reference #3
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Title
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The cellobiose permease of escherichia coli consists of three proteins and is homologous to the lactose permease of staphylococcus aureus.
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Authors
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J.Reizer,
A.Reizer,
M.H.Saier.
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Ref.
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Res Microbiol, 1990,
141,
1061-1067.
[DOI no: ]
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PubMed id
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