2D1A

Solution RNA structure model of the HIV-1 dimerization initiation site in the extended-duplex dimer


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY1.8mM 25-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O50mM NaCl7.0ambient283
21D-HSQC-selected spectrum0.4mM [G-13C/15N] labeled 39-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O50mM NaCl7.0ambient283
31D-HSQC-filtered spectrum0.4mM [G-13C/15N] labeled 39-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O50mM NaCl7.0ambient283
42D NOESY1.0mM 39-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O50mM NaCl7.0ambient283
52D TOCSY1.8mM 25-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 100% D2O100% D2O50mM NaCl7.0ambient298
62D NOESY1.8mM 25-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 100% D2O100% D2O50mM NaCl7.0ambient298
72D-w2-filtered NOESY0.4mM [G-13C/15N] labeled 39-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 100% D2O100% D2O50mM NaCl7.0ambient298
82D-w2-filtered NOESY0.2mM [A-13C/15N] labeled 39-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 100% D2O100% D2O50mM NaCl7.0ambient298
92D TOCSY1.0mM 39-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 100% D2O100% D2O50mM NaCl7.0ambient298
102D NOESY1.0mM 39-mer RNA FRAGMENT; 10mM phosphate buffer, 50mM NaCl; 100% D2O100% D2O50mM NaCl7.0ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX500
2BrukerDRX600
NMR Refinement
MethodDetailsSoftware
minimization of model RNASolution structures of DIS39 were constructed by combining the structure parts. Structures of the loop region of the extended-duplex dimer (2D18) and stem-bulge-stem region (2D17) were combined by superimposing the two base pairs, C12:G26 and U13:G25.Discover
NMR Ensemble Information
Conformer Selection Criteriaall calculated structures submitted
Conformers Calculated Total Number1
Conformers Submitted Total Number1
Representative Model1 (model structure)
Additional NMR Experimental Information
Detailsmodel structure was constructed by combining the structure parts
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementDiscover97.0Accelrys