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- PDB-2o00: NMR structure analysis of the Penetratin conjugated Gas (374-394)... -

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Entry
Database: PDB / ID: 2o00
TitleNMR structure analysis of the Penetratin conjugated Gas (374-394) peptide
ComponentsPenetratin conjugated Gas (374-394) peptide
KeywordsMEMBRANE PROTEIN / conformational analysis / G protein / Gas subunit / A2a adenosine receptor / cell-penetrating peptides / penetratin
MethodSOLUTION NMR
AuthorsD'Ursi, A.M. / Rovero, P. / Albrizio, S. / Espsito, C. / D'Errico, G. / Novellino, E.
CitationJournal: J.Med.Chem. / Year: 2007
Title: Driving forces in the delivery of penetratin conjugated G protein fragment.
Authors: Albrizio, S. / Giusti, L. / D'Errico, G. / Esposito, C. / Porchia, F. / Caliendo, G. / Novellino, E. / Mazzoni, M.R. / Rovero, P. / D'Ursi, A.M.
History
DepositionNov 27, 2006Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 5, 2007Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 16, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_nmr_spectrometer / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Remark 999sequence The sequence is not available in the UniProt database at the time of processing.

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Structure visualization

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Assembly

Deposited unit
A: Penetratin conjugated Gas (374-394) peptide


Theoretical massNumber of molelcules
Total (without water)4,9281
Polymers4,9281
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)24 / 24all calculated structures submitted
Representative

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Components

#1: Protein/peptide Penetratin conjugated Gas (374-394) peptide


Mass: 4927.894 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: continuous flow solid phase method using Fmoc chemistry

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
1212D TOCSY
131DQF-COSY

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Sample preparation

DetailsContents: 1mM peptide, 100mM sodium dodecyl sulphate, 90% H2O, 10% D2O
Solvent system: 90% H2O/10% D2O
Sample conditionspH: 5.0 / Pressure: 1 atm / Temperature: 300 K

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz

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Processing

NMR software
NameVersionClassification
XwinNMR1.3processing
Sparky1.3data analysis
DYANA1.5refinement
NMR ensembleConformer selection criteria: all calculated structures submitted
Conformers calculated total number: 24 / Conformers submitted total number: 24

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