2L0Z

Solution structure of a zinc-binding domain from the Junin virus envelope glycoprotein


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D DQF-COSY0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-2, 2.5 mM [U-94.5% 2H] TCEP-3, 5 mM zinc sulfate-490% H2O/10% D2O07.2ambient298
22D 1H-1H TOCSY0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-2, 2.5 mM [U-94.5% 2H] TCEP-3, 5 mM zinc sulfate-490% H2O/10% D2O07.2ambient298
32D 1H-1H NOESY0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-2, 2.5 mM [U-94.5% 2H] TCEP-3, 5 mM zinc sulfate-490% H2O/10% D2O07.2ambient298
42D 1H-15N HSQC0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-2, 2.5 mM [U-94.5% 2H] TCEP-3, 5 mM zinc sulfate-490% H2O/10% D2O07.2ambient298
52D E-COSY0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-6, 2.5 mM [U-94.5% 2H] TCEP-7, 4 mM zinc sulfate-8100% D2O07.2ambient298
62D 1H-13C HSQC0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-6, 2.5 mM [U-94.5% 2H] TCEP-7, 4 mM zinc sulfate-8100% D2O07.2ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianNMR System600
NMR Refinement
MethodDetailsSoftware
molecular dynamicsrefinement in explicit solvent (H2O) in AriaARIA
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number56
Conformers Submitted Total Number21
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionARIA1.2Linge, O'Donoghue and Nilges
2chemical shift assignmentFelix2004Felix NMR Inc.
3peak pickingFelix2004Felix NMR Inc.
4data analysisFelix2004Felix NMR Inc.
5refinementARIA1.2Linge, O'Donoghue and Nilges