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- PDB-1fjk: NMR Solution Structure of Phospholamban (C41F) -

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Basic information

Entry
Database: PDB / ID: 1fjk
TitleNMR Solution Structure of Phospholamban (C41F)
ComponentsCARDIAC PHOSPHOLAMBAN
KeywordsMEMBRANE PROTEIN / Helix
Function / homology
Function and homology information


negative regulation of calcium ion import into sarcoplasmic reticulum / negative regulation of ATPase-coupled calcium transmembrane transporter activity / adenylate cyclase-activating adrenergic receptor signaling pathway involved in heart process / regulation of relaxation of muscle / Ion homeostasis / regulation of the force of heart contraction by cardiac conduction / calcium ion-transporting ATPase complex / acrosome assembly / Ion transport by P-type ATPases / regulation of calcium ion import ...negative regulation of calcium ion import into sarcoplasmic reticulum / negative regulation of ATPase-coupled calcium transmembrane transporter activity / adenylate cyclase-activating adrenergic receptor signaling pathway involved in heart process / regulation of relaxation of muscle / Ion homeostasis / regulation of the force of heart contraction by cardiac conduction / calcium ion-transporting ATPase complex / acrosome assembly / Ion transport by P-type ATPases / regulation of calcium ion import / ATPase inhibitor activity / regulation of cardiac muscle cell contraction / cardiac muscle tissue development / negative regulation of heart rate / muscle cell cellular homeostasis / regulation of calcium ion transport / regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion / Notch signaling pathway / sarcoplasmic reticulum membrane / sarcoplasmic reticulum / mitochondrial membrane / intracellular calcium ion homeostasis / endoplasmic reticulum membrane / protein homodimerization activity / membrane
Similarity search - Function
Phospholamban / Phospholamban / Phospholamban / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Up-down Bundle / Mainly Alpha
Similarity search - Domain/homology
Cardiac phospholamban
Similarity search - Component
Biological speciesSus scrofa (pig)
MethodSOLUTION NMR / simulated annealing, molecular dynamics
AuthorsLamberth, S. / Griesinger, C. / Schmid, H. / Carafoli, E. / Muenchbach, M. / Vorherr, T. / Krebs, J.
CitationJournal: HELV.CHIM.ACTA / Year: 2000
Title: NMR Solution Structure of Phospholamban
Authors: Lamberth, S. / Schmid, H. / Muenchbach, M. / Vorherr, T. / Krebs, J. / Carafoli, E. / Griesinger, C.
History
DepositionAug 8, 2000Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 6, 2000Provider: repository / Type: Initial release
Revision 1.1Apr 27, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 3, 2021Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: CARDIAC PHOSPHOLAMBAN


Theoretical massNumber of molelcules
Total (without water)6,1301
Polymers6,1301
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)1 / 100minimized average structure
RepresentativeModel #21lowest energy

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Components

#1: Protein CARDIAC PHOSPHOLAMBAN


Mass: 6129.504 Da / Num. of mol.: 1 / Mutation: C41F / Source method: isolated from a natural source / Source: (natural) Sus scrofa (pig) / References: UniProt: P61013

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
121DQF-COSY
131TOCSY
NMR detailsText: This structure was determined using standard 2D homonuclear techniques.

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Sample preparation

DetailsContents: 1 mM Phospholamban (C41F) / Solvent system: 50 % CDCl3, 50 % CD3OH
Sample conditionsIonic strength: 0 / pH: 7.0 / Pressure: ambient / Temperature: 300 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker DRXBrukerDRX8001
Bruker DRXBrukerDRX6002

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Processing

NMR software
NameVersionDeveloperClassification
Felix98MSIdata analysis
X-PLOR98.1Brungerstructure solution
UXNMR2.6Brukercollection
X-PLOR98.1Brungerrefinement
RefinementMethod: simulated annealing, molecular dynamics / Software ordinal: 1
Details: the structure is based on a total of 649 restraints, 644 are NOE-derived distance constraints, 5 dihedral angle restraints
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: minimized average structure / Conformers calculated total number: 100 / Conformers submitted total number: 1

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