1ZBN

Solution structure of BIV TAR hairpin complexed to JDV Tat arginine-rich motif


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1DQF-COSY1.5mM RNA, 1.5mM peptide100% D2O50mM NaCl, 10mM sodium phosphate6.5ambient290
22D TOCSY1.5mM RNA, 1.5mM peptide100% D2O50mM NaCl, 10mM sodium phosphate6.5ambient290
32D NOESY1.5mM RNA, 1.5mM peptide100% D2O50mM NaCl, 10mM sodium phosphate6.5ambient290
42D NOESY1.5mM RNA, 1.5mM peptide100% D2O50mM NaCl, 10mM sodium phosphate6.5ambient300
52D NOESY1.5mM RNA, 1.5mM peptide, 90% H2O, 10% D2O90% H2O/10% D2O50mM NaCl, 10mM sodium phosphate6.5ambient285
62D TOCSY1.5mM RNA, 1.5mM peptide, 90% H2O, 10% D2O90% H2O/10% D2O50mM NaCl, 10mM sodium phosphate6.5ambient290
7DQF-COSY1.5mM RNA, 1.5mM peptide, 90% H2O, 10% D2O90% H2O/10% D2O50mM NaCl, 10mM sodium phosphate6.5ambient290
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianUNITY600
NMR Refinement
MethodDetailsSoftware
distance geometry and restrained molecular dynamicsStructures were calculated beginning with 1,000 random structures and incrementally adding distance constraints in four iterations. The final 30 structures with the lowest number of violations were subjected to RMD. The structures are based on a total of 700 distance constraints, 61 dihedral angle restraints.CYANA
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number30
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionCYANA1.xGuentert
2refinementCNS1.1Brunger
3processingNMRPipeNADelaglio
4data analysisSparky3Goddard