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- PDB-9lbr: Response regulator RR468 mutant M56A -

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Basic information

Entry
Database: PDB / ID: 9lbr
TitleResponse regulator RR468 mutant M56A
ComponentsResponse regulator
KeywordsSIGNALING PROTEIN / Response regulator / metalloenzyme / phosphorylation / Two-component system
Function / homology
Function and homology information


phosphorelay response regulator activity / phosphorelay signal transduction system / DNA binding / metal ion binding
Similarity search - Function
: / Response regulator receiver domain / cheY-homologous receiver domain / Signal transduction response regulator, receiver domain / Response regulatory domain profile. / CheY-like superfamily
Similarity search - Domain/homology
Biological speciesThermotoga maritima MSB8 (bacteria)
MethodSOLUTION NMR / molecular dynamics
AuthorsLiu, X. / Wang, D. / Liu, Y. / Jiang, L.
Funding support China, 4items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)21925406 China
National Natural Science Foundation of China (NSFC)22277123 China
National Natural Science Foundation of China (NSFC)22374156 China
National Natural Science Foundation of China (NSFC)21991082 China
CitationJournal: To Be Published
Title: Structure of Response regulator RR468 mutant M56A
Authors: Liu, X. / Wang, D. / Liu, Y. / Jiang, L.
History
DepositionJan 3, 2025Deposition site: PDBJ / Processing site: PDBC
Revision 1.0Jan 14, 2026Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Response regulator


Theoretical massNumber of molelcules
Total (without water)13,7881
Polymers13,7881
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: NMR Distance Restraints, not applicable
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 200target function
RepresentativeModel #1target function

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Components

#1: Protein Response regulator


Mass: 13788.138 Da / Num. of mol.: 1 / Mutation: M56A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermotoga maritima MSB8 (bacteria) / Gene: TM_0468
Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria)
References: UniProt: Q9WYT9
Has protein modificationN

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDSample stateSpectrometer-IDType
111isotropic12D 1H-15N HSQC
121isotropic12D 1H-13C HSQC
131isotropic13D (H)CCH-TOCSY
141isotropic13D HN(CA)CB
151isotropic13D CBCA(CO)NH
161isotropic13D HNCA
171isotropic13D 1H-15N NOESY
181isotropic13D 1H-13C NOESY

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Sample preparation

DetailsType: solution
Contents: 0.8 mM [U-13C; U-15N] RR468, 20 mM HEPES, 10 mM magnesium chloride, 50 mM potassium chloride, 90% H2O/10% D2O
Details: 20 mM HEPES, 10 mM MgCl2, 50 mM KCl. / Label: 13C, 15N-labeled / Solvent system: 90% H2O/10% D2O
Sample
Conc. (mg/ml)ComponentIsotopic labelingSolution-ID
0.8 mMRR468[U-13C; U-15N]1
20 mMHEPESnatural abundance1
10 mMmagnesium chloridenatural abundance1
50 mMpotassium chloridenatural abundance1
Sample conditionsIonic strength: 120 mM / Label: condition_1 / pH: 7 / Pressure: 1 atm / Temperature: 298 K

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NMR measurement

NMR spectrometerType: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 850 MHz

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Processing

NMR software
NameDeveloperClassification
CNSBrunger A. T. et.al.refinement
CYANAGuntert, Mumenthaler and Wuthrichstructure calculation
CARAKeller and Wuthrichchemical shift assignment
RefinementMethod: molecular dynamics / Software ordinal: 1
NMR representativeSelection criteria: target function
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 200 / Conformers submitted total number: 20

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