2PJV

solution structure of hiv-1 gp41 fusion domain bound to DPC micelle


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY1 MM N15-PEPTIDE IN THE PRESENCE OF 200 MM D38-DPC IN 0.05% NAN3, 5 MM DTT, 20 MM D4-ACETIC ACID95% H2O/5% D2O7.4ambient303
22D TOCSY1 MM N15-PEPTIDE IN THE PRESENCE OF 200 MM D38-DPC IN 0.05% NAN3, 5 MM DTT, 20 MM D4-ACETIC ACID95% H2O/5% D2O7.4ambient303
33D_15N-separated_NOESY1 MM N15-PEPTIDE IN THE PRESENCE OF 200 MM D38-DPC IN 0.05% NAN3, 5 MM DTT, 20 MM D4-ACETIC ACID95% H2O/5% D2O7.4ambient303
4HNHA1 MM N15-PEPTIDE IN THE PRESENCE OF 200 MM D38-DPC IN 0.05% NAN3, 5 MM DTT, 20 MM D4-ACETIC ACID95% H2O/5% D2O7.4ambient303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE600
2VarianINOVA600
3VarianINOVA500
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsVNMR
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number38
Conformers Submitted Total Number38
Representative Model1 (closest to the average)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionVNMR
2processingNMRPipe2.4
3data analysisSparky3.110
4structure solutionDYANA1.5
5refinementOPAL2.6