2MG5 | pdb_00002mg5

Solution Structure of Calmodulin bound to the target peptide of Endothelial Nitrogen Oxide Synthase phosphorylated at Thr495


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC1 mM [U-99% 13C; U-99% 15N] protein, 1 mM peptide90% H2O/10% D2O1506.0ambient298
23D CBCA(CO)NH1 mM [U-99% 13C; U-99% 15N] protein, 1 mM peptide90% H2O/10% D2O1506.0ambient298
33D HNCA1 mM [U-99% 13C; U-99% 15N] protein, 1 mM peptide90% H2O/10% D2O1506.0ambient298
43D 1H-15N NOESY1 mM [U-99% 13C; U-99% 15N] protein, 1 mM peptide90% H2O/10% D2O1506.0ambient298
53D 1H-15N TOCSY1 mM [U-99% 13C; U-99% 15N] protein, 1 mM peptide90% H2O/10% D2O1506.0ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAMX600
NMR Refinement
MethodDetailsSoftware
simulated annealingCNSSOLVE
NMR Ensemble Information
Conformer Selection Criteriastructures with acceptable covalent geometry
Conformers Calculated Total Number20
Conformers Submitted Total Number20
Representative Model1 (minimized average structure)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionCNSSOLVEBrunger, Adams, Clore, Gros, Nilges and Read
2refinementCNSSOLVEBrunger, Adams, Clore, Gros, Nilges and Read