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- PDB-2kmt: NMR solution structure of Vibrio fischeri CcdB -

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Basic information

Entry
Database: PDB / ID: 2kmt
TitleNMR solution structure of Vibrio fischeri CcdB
ComponentsCcdB
KeywordsTOXIN
Function / homology
Function and homology information


DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) inhibitor activity / plasmid maintenance
Similarity search - Function
Toxin CcdB / CcdB protein / SH3 type barrels. - #110 / Plasmid maintenance toxin/Cell growth inhibitor / SH3 type barrels. / Roll / Mainly Beta
Similarity search - Domain/homology
Biological speciesVibrio fischeri (bacteria)
MethodSOLUTION NMR / simulated annealing
AuthorsZangger, K.
CitationJournal: J.Biol.Chem. / Year: 2010
Title: Structural and Thermodynamic Characterization of Vibrio fischeri CcdB.
Authors: De Jonge, N. / Hohlweg, W. / Garcia-Pino, A. / Respondek, M. / Buts, L. / Haesaerts, S. / Lah, J. / Zangger, K. / Loris, R.
History
DepositionAug 4, 2009Deposition site: BMRB / Processing site: PDBJ
Revision 1.0Dec 1, 2009Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 26, 2020Group: Database references / Other / Category: database_2 / pdbx_database_status / Item: _pdbx_database_status.status_code_cs
Revision 1.3Jun 14, 2023Group: Database references / Other / Category: database_2 / pdbx_database_status
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_nmr_data
Revision 1.4May 15, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 / Item: _database_2.pdbx_DOI

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: CcdB
B: CcdB


Theoretical massNumber of molelcules
Total (without water)23,7592
Polymers23,7592
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)20 / 100structures with the lowest energy
RepresentativeModel #1closest to the average

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Components

#1: Protein CcdB


Mass: 11879.721 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Vibrio fischeri (bacteria) / Gene: ccdB / Production host: Escherichia coli (E. coli) / References: UniProt: Q84B82

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1113D 1H-15N NOESY
1213D 1H-13C NOESY

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Sample preparation

DetailsContents: 50mM potassium phosphate-1, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O
SampleConc.: 50 mM / Component: potassium phosphate-1
Sample conditionsIonic strength: 0.05 / pH: 6.5 / Pressure: ambient / Temperature: 298 K

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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
NameClassification
CNSstructure solution
CNSrefinement
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 100 / Conformers submitted total number: 20 / Representative conformer: 7

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