2LR1

Structural Mechanism for Bax Inhibition by Cytomegalovirus Protein vMIA


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC0.1 mM [U-100% 15N] protein_1, 0.1 mM protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
22D 1H-1H TOCSY0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
32D 1H-1H NOESY0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
43D HNCO0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
53D HNCACB0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
62D 1H-15N HSQC0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
73D 1H-15N NOESY0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
82D 1H-13C HSQC0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
93D 1H-13C NOESY0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
102D DQF-COSY0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT90% H2O/10% D2O506.2ambient310
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
DGSA-distance geometry simulated annealingxplor
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number500
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionxplorSchwieters, Kuszewski, Tjandra and Clore
2refinementxplorSchwieters, Kuszewski, Tjandra and Clore