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- PDB-2rlz: Solid-State MAS NMR structure of the dimer Crh -

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Basic information

Entry
Database: PDB / ID: 2rlz
TitleSolid-State MAS NMR structure of the dimer Crh
ComponentsHPr-like protein crh
KeywordsTRANSPORT PROTEIN / domain-swap / dimer / MAS / Phosphorylation
Function / homology
Function and homology information


Phosphotransferase system, HPr serine phosphorylation site / PTS HPR domain serine phosphorylation site signature. / HPr-like / Histidine-containing Protein; Chain: A; / Phosphocarrier protein HPr-like / HPr-like superfamily / PTS HPr component phosphorylation site / PTS HPR domain profile. / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
HPr-like protein Crh
Similarity search - Component
Biological speciesBacillus subtilis (bacteria)
MethodSOLID-STATE NMR / simulated annealing
AuthorsLoquet, A. / Bardiaux, B. / Gardiennet, C. / Blanchet, C. / Baldus, M. / Nilges, M. / Malliavin, T. / Bockmann, A.
CitationJournal: J.Am.Chem.Soc. / Year: 2008
Title: 3D structure determination of the Crh protein from highly ambiguous solid-state NMR restraints.
Authors: Loquet, A. / Bardiaux, B. / Gardiennet, C. / Blanchet, C. / Baldus, M. / Nilges, M. / Malliavin, T. / Bockmann, A.
History
DepositionSep 4, 2007Deposition site: BMRB / Processing site: PDBJ
Revision 1.0Jun 17, 2008Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Mar 16, 2022Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3May 29, 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: HPr-like protein crh
B: HPr-like protein crh


Theoretical massNumber of molelcules
Total (without water)18,6732
Polymers18,6732
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)10 / 20010 structures for lowest energy
RepresentativeModel #1lowest pair-fitted rmsd

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Components

#1: Protein HPr-like protein crh / Crh


Mass: 9336.668 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus subtilis (bacteria) / Gene: crh, yvcM / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: O06976

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Experimental details

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Experiment

ExperimentMethod: SOLID-STATE NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111CHHC
121NHHC

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Sample preparation

DetailsContents: 20 mg [U-98% 13C; U-98% 15N] Crh, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O
SampleConc.: 20 % / Component: Crh / Isotopic labeling: [U-98% 13C; U-98% 15N]
Sample conditionspH: 6.9 / Temperature: 278 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
BRUKER DSXBrukerDSX5001
BRUKER DSXBrukerDSX6002

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Processing

NMR software
NameDeveloperClassification
CNSSchwieters, Kuszewski, Tjandra, Clorerefinement
ARIALinge, O'Donoghue, Nilgesrefinement
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: lowest pair-fitted rmsd
NMR ensembleConformer selection criteria: 10 structures for lowest energy
Conformers calculated total number: 200 / Conformers submitted total number: 10

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