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- PDB-1e2b: NMR STRUCTURE OF THE C10S MUTANT OF ENZYME IIB CELLOBIOSE OF THE ... -

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Basic information

Entry
Database: PDB / ID: 1e2b
TitleNMR STRUCTURE OF THE C10S MUTANT OF ENZYME IIB CELLOBIOSE OF THE PHOSPHOENOL-PYRUVATE DEPENDENT PHOSPHOTRANSFERASE SYSTEM OF ESCHERICHIA COLI, 17 STRUCTURES
ComponentsENZYME IIB-CELLOBIOSE
KeywordsTRANSFERASE / ENZYME IIB-CELLOBIOSE / PHOSPHOTRANSFERASE SYSTEM / SUGAR TRANSPORT / PHOSPHORYLATION
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-phosphocysteine-sugar phosphotransferase activity / protein-N(PI)-phosphohistidine-sugar phosphotransferase activity / phosphoenolpyruvate-dependent sugar phosphotransferase system / transmembrane transporter complex / kinase activity / 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
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodSOLUTION NMR / DISTANCE GEOMETRY, RESTRAINED MOLECULAR DYNAMICS, SIMULATED ANNEALING
AuthorsAb, E. / Schuurman-Wolters, G. / Reizer, J. / Saier, M.H. / Dijkstra, K. / Scheek, R.M. / Robillard, G.T.
Citation
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.
#1: 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.
#2: 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.
#3: 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 Junior, M.H.
History
DepositionNov 15, 1996Processing site: BNL
Revision 1.0Jul 23, 1997Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Source and taxonomy / Version format compliance
Revision 1.3Nov 3, 2021Group: Database references / Other
Category: database_2 / pdbx_database_status / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _struct_ref_seq_dif.details
Revision 1.4May 22, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: ENZYME IIB-CELLOBIOSE


Theoretical massNumber of molelcules
Total (without water)11,4231
Polymers11,4231
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)17 / 32TARGET FUNCTION, NUMBER OF VIOLATIONS
Representative

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Components

#1: Protein ENZYME IIB-CELLOBIOSE


Mass: 11423.449 Da / Num. of mol.: 1 / Mutation: C10S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Cellular location: CYTOPLASM / Gene: CELA / Plasmid: PJR-IIBC10S / Species (production host): Escherichia coli / Cellular location (production host): CYTOPLASM
Production host: Escherichia coli str. K12 substr. W3110 (bacteria)
Strain (production host): W3110
References: UniProt: P69795, protein-Npi-phosphohistidine-sugar phosphotransferase

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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: 6.18 / Temperature: 293 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Varian UNITYVarianUNITY5001
Varian UNITYVarianUNITY7502

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Processing

NMR software
NameDeveloperClassification
DDDSCHEEKrefinement
SNARFstructure solution
DDDstructure solution
RefinementMethod: DISTANCE GEOMETRY, RESTRAINED MOLECULAR DYNAMICS, SIMULATED ANNEALING
Software ordinal: 1
NMR ensembleConformer selection criteria: TARGET FUNCTION, NUMBER OF VIOLATIONS
Conformers calculated total number: 32 / Conformers submitted total number: 17

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