2M6W | pdb_00002m6w

Solution NMR structure of the d(GGGGTTGGGGTTTTGGGGAAGGGG) quadruplex in sodium conditions


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-1H NOESY5 mM DNA (5'-D(*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*AP*AP*GP*GP*GP*G)-3'), 20 mM sodium phosphate93% H2O/7% D2O257.8ambient278
22D 1H-1H NOESY5 mM DNA (5'-D(*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*AP*AP*GP*GP*GP*G)-3'), 20 mM sodium phosphate100% D2O257.8ambient293
32D 1H-1H TOCSY5 mM DNA (5'-D(*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*AP*AP*GP*GP*GP*G)-3'), 20 mM sodium phosphate100% D2O257.8ambient293
42D DQF-COSY5 mM DNA (5'-D(*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*AP*AP*GP*GP*GP*G)-3'), 20 mM sodium phosphate100% D2O257.8ambient293
52D [1H-13C] H1(C5)H8 JR HMBC5 mM DNA (5'-D(*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*AP*AP*GP*GP*GP*G)-3'), 20 mM sodium phosphate93% H2O/7% D2O257.8ambient278
62D [1H-31P]-HSQC5 mM DNA (5'-D(*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*AP*AP*GP*GP*GP*G)-3'), 20 mM sodium phosphate100% D2O257.8ambient293
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianVNMRS 500500
NMR Refinement
MethodDetailsSoftware
simulated annealing, molecular dynamicsFelix
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number8
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingFelixAccelrys Software Inc.
2chemical shift assignmentSparkyGoddard
3data analysisSparkyGoddard
4structure solutionX-PLORBrunger
5refinementX-PLORBrunger
6structure solutionX-PLOR NIHSchwieters, Kuszewski, Tjandra and Clore
7refinementX-PLOR NIHSchwieters, Kuszewski, Tjandra and Clore
8data analysisMOLMOLKoradi, Billeter and Wuthrich
9collectionVnmrJVarian