2MFT | pdb_00002mft

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


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-1H TOCSY2 mM 5'-D(*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*TP*GP*GP*GP*TP*TP*TP*TP*GP*GP*G)-3', 20 mM sodium phosphate100% D2O207.8ambient293
22D 1H-1H COSY2 mM 5'-D(*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*TP*GP*GP*GP*TP*TP*TP*TP*GP*GP*G)-3', 20 mM sodium phosphate100% D2O207.8ambient293
32D 1H-1H NOESY2 mM 5'-D(*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*TP*GP*GP*GP*TP*TP*TP*TP*GP*GP*G)-3', 20 mM sodium phosphate100% D2O207.8ambient293
42D 1H-1H NOESY2 mM 5'-D(*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*TP*GP*GP*GP*TP*TP*TP*TP*GP*GP*G)-3', 20 mM sodium phosphate93% H2O/7% D2O207.8ambient278
52D 1H-31P HSQC2 mM 5'-D(*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*TP*GP*GP*GP*TP*TP*TP*TP*GP*GP*G)-3', 20 mM sodium phosphate100% D2O207.8ambient293
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianVNMRS 500500
NMR Refinement
MethodDetailsSoftware
DGSA-distance geometry simulated annealing, molecular dynamicsFelix
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number88
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingFelixAccelrys Software Inc.
2collectionVnmrJVarian
3chemical shift assignmentSparkyGoddard
4data analysisSparkyGoddard
5structure solutionX-PLOR NIHSchwieters, Kuszewski, Tjandra and Clore
6refinementX-PLOR NIHSchwieters, Kuszewski, Tjandra and Clore
7data analysisMOLMOLKoradi, Billeter and Wuthrich