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- PDB-7e5p: Aptamer enhancing peroxidase activity of myoglobin -

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Basic information

Entry
Database: PDB / ID: 7e5p
TitleAptamer enhancing peroxidase activity of myoglobin
ComponentsDNA (5'-D(*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')
KeywordsDNA / DNA aptamer parallel G-quadruplex myoglobin peroxidase activity enhancement
Function / homologyDNA / DNA (> 10)
Function and homology information
Biological speciessynthetic construct (others)
MethodSOLUTION NMR / simulated annealing
AuthorsTsukakoshi, K. / Matsugami, A. / Khunathai, K. / Kanazashi, M. / Yamagishi, Y. / Nakama, K. / Oshikawa, D. / Hayashi, F. / Kuno, H. / Ikebukuro, K.
CitationJournal: Nucleic Acids Res. / Year: 2021
Title: G-quadruplex-forming aptamer enhances the peroxidase activity of myoglobin against luminol.
Authors: Tsukakoshi, K. / Yamagishi, Y. / Kanazashi, M. / Nakama, K. / Oshikawa, D. / Savory, N. / Matsugami, A. / Hayashi, F. / Lee, J. / Saito, T. / Sode, K. / Khunathai, K. / Kuno, H. / Ikebukuro, K.
History
DepositionFeb 19, 2021Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jun 16, 2021Provider: repository / Type: Initial release
Revision 1.1Jul 7, 2021Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.2Jun 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 1.3May 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: DNA (5'-D(*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')


Theoretical massNumber of molelcules
Total (without water)5,1311
Polymers5,1311
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)10 / 100structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: DNA chain DNA (5'-D(*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')


Mass: 5131.298 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: DNA aptamer / Source: (synth.) synthetic construct (others)

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDSample stateSpectrometer-IDType
111isotropic12D 1H-1H NOESY 500ms
121isotropic12D 1H-1H NOESY 50ms
131isotropic22D 1H-1H TOCSY 120ms
141isotropic22D DQF-COSY
151isotropic12D 1H-13C HSQC
162isotropic12D 1H-1H NOESY 50ms
172isotropic22D 1H-1H NOESY 250ms
182isotropic22D JR-HMBC
192isotropic12D 1H-15N HSQC

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Sample preparation

Details
TypeSolution-IDContentsLabelSolvent system
solution11 mM DNA (5'-D(*(GUA)P*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3'), 10 mM Potassium phosphate buffer pH 6.5, 100 uM DSS, 100% D2OD2O_sample100% D2O
solution21 mM DNA (5'-D(*(GUA)P*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3'), 10 mM Potassium phosphate buffer pH 6.5, 100 uM NA DSS, 95% H2O/5% D2OH2O_sample95% H2O/5% D2O
Sample
Conc. (mg/ml)ComponentIsotopic labelingSolution-ID
1 mMDNA (5'-D(*(GUA)P*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')natural abundance1
10 mMPotassium phosphate buffer pH 6.5natural abundance1
100 uMDSSnatural abundance1
1 mMDNA (5'-D(*(GUA)P*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')natural abundance2
10 mMPotassium phosphate buffer pH 6.5natural abundance2
100 uMDSSNA2
Sample conditionsIonic strength: 10 mM / Label: all_sample / pH: 6.5 / Pressure: 1 atm / Temperature: 298 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AVANCE IIIBrukerAVANCE III7001
Bruker AVANCE IIIBrukerAVANCE III8002

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Processing

NMR software
NameVersionDeveloperClassification
X-PLOR NIH2.48Schwieters, Kuszewski, Tjandra and Clorestructure calculation
NMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxprocessing
Sparky3.114Goddardpeak picking
TopSpin3.5Bruker Biospinprocessing
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 100 / Conformers submitted total number: 10

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