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- PDB-1h9c: NMR structure of cysteinyl-phosphorylated enzyme IIB of the N,N'-... -

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Entry
Database: PDB / ID: 1h9c
TitleNMR structure of cysteinyl-phosphorylated enzyme IIB of the N,N'-diacetylchitobiose specific phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli.
ComponentsPTS SYSTEM, CHITOBIOSE-SPECIFIC IIB COMPONENT
KeywordsTRANSFERASE / ENZYME IIB-CHITOBIOSE / PHOSPHOTRANSFERASE SYSTEM / SUGAR TRANSPORT / PHOSPHORYLATION / IIB- CELLOBIOSE
Function / homology
Function and homology information


protein-Npi-phosphohistidine-N,N'-diacetylchitobiose phosphotransferase / protein-phosphocysteine-N,N'-diacetylchitobiose phosphotransferase system transporter activity / N,N'-diacetylchitobiose import / protein-N(PI)-phosphohistidine-sugar phosphotransferase activity / phosphoenolpyruvate-dependent sugar phosphotransferase system / transmembrane transporter complex / kinase activity / phosphorylation / cytosol
Similarity search - Function
Phosphotransferase system, EIIB component, type 3 / PTS_EIIB type-3 domain profile. / Phosphotransferase system, EIIB component, type 2/3 / PTS system IIB component-like superfamily / PTS system, Lactose/Cellobiose specific IIB subunit / Response regulator / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
PTS system N,N'-diacetylchitobiose-specific EIIB component / PTS system N,N'-diacetylchitobiose-specific EIIB component
Similarity search - Component
Biological speciesESCHERICHIA COLI (E. coli)
MethodSOLUTION NMR / DISTANCE GEOMETRY, RESTRAINED MOLECULAR DYNAMICS, SIMULATED ANNEALING
AuthorsAb, E. / Schuurman-Wolters, G.K. / Nijlant, D. / Dijkstra, K. / Saier, M.H. / Robillard, G.T. / Scheek, R.M.
Citation
Journal: J.Mol.Biol. / Year: 2001
Title: NMR Structure of Cysteinyl-Phosphorylated Enzyme Iib of the N,N'-Diacetylchitobiose Specific Phosphoenolpyruvate-Dependentphosphotransferase System of Escherichia Coli
Authors: Ab, E. / Schuurman-Wolters, G.K. / Nijlant, D. / Dijkstra, K. / Saier, M.H. / Robillard, G.T. / Scheek, R.M.
#1: Journal: Protein Sci. / Year: 1997
Title: The NMR Side-Chain Assignments and Solution Structure of Enzyme Iibcellobiose of the Phosphoenolpyruvate-Dependent Phosphotransferase System of Escherichia Coli
Authors: Ab, E. / Schuurman-Wolters, G. / Reizer, J. / Saier, M.H. / Dijkstra, K. / Scheek, R.M. / Robillard, G.T.
#2: Journal: Protein Sci. / Year: 1994
Title: Enzyme Iibcellobiose of the Phosphoenol-Pyruvate-Dependent Phosphotransferase System of Escherichia Coli: Backbone Assignment and Secondary Structure Determined by Three-Dimensional NMR Spectroscopy
Authors: Ab, E. / Schuurman-Wolters, G.K. / Saier, M.H. / Reizer, J. / Jacuinod, M. / Roepstorff, P. / Dijkstra, K. / Scheek, R.M. / Robillard, G.T.
#3: Journal: Genetics / Year: 1990
Title: Characterization and Nucleotide Sequence of the Cryptic Cel Operon of Escherichia Coli K12
Authors: Parker, L.L. / Hall, B.G.
#4: Journal: Res.Microbiol. / Year: 1990
Title: The Cellobiose Permease of Escherichia Coli Consists of Three Proteins and is Homologous to the Lactose Permease of Staphylococcus Aureus
Authors: Reizer, J. / Reizer, A. / Saier Jr, M.H.
History
DepositionMar 7, 2001Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 21, 2001Provider: repository / Type: Initial release
Revision 1.1May 7, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Jan 31, 2018Group: Data collection / Database references / Source and taxonomy
Category: citation / citation_author ...citation / citation_author / entity_src_gen / pdbx_nmr_spectrometer
Item: _citation.journal_volume / _citation.page_last ..._citation.journal_volume / _citation.page_last / _citation.pdbx_database_id_DOI / _citation_author.name / _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _pdbx_nmr_spectrometer.model

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Structure visualization

Structure viewerMolecule:
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Assembly

Deposited unit
A: PTS SYSTEM, CHITOBIOSE-SPECIFIC IIB COMPONENT


Theoretical massNumber of molelcules
Total (without water)11,5191
Polymers11,5191
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)9 / 33TARGET-FUNCTION, R-FACTOR, NUMBER OF VIOLATIONS
RepresentativeModel #1

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Components

#1: Protein PTS SYSTEM, CHITOBIOSE-SPECIFIC IIB COMPONENT / EIIB-CEL / EIIB-CHB


Mass: 11519.493 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: PHOSPHORYLATION AT RESIDUE CYS10 / Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Strain: W3110 / Cellular location: CYTOPLASM / Gene: CHBB [PREV CELA] / Plasmid: PJR-BLIIB / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): W3110
References: UniProt: P17409, UniProt: P69795*PLUS, protein-Npi-phosphohistidine-sugar phosphotransferase
Compound detailsCOMPONENT OF THE PHOSPHOENOLPYRUVATE-DEPENDENT SUGAR PHOSPHOTRANSFERASE SYSTEM (PTS)

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experimentType: NOESY

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Sample preparation

Sample conditionspH: 7 / Pressure: 1 atm / Temperature: 295 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz

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Processing

NMR software
NameDeveloperClassification
GROMACSVAN DER SPOELrefinement
SNARFstructure solution
DDDstructure solution
GROMACSstructure solution
RefinementMethod: DISTANCE GEOMETRY, RESTRAINED MOLECULAR DYNAMICS, SIMULATED ANNEALING
Software ordinal: 1
Details: REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE
NMR ensembleConformer selection criteria: TARGET-FUNCTION, R-FACTOR, NUMBER OF VIOLATIONS
Conformers calculated total number: 33 / Conformers submitted total number: 9

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