5NDA

NMR Structural Characterisation of Pharmaceutically Relevant Proteins Obtained Through a Novel Recombinant Production: The Case of The Pulmonary Surfactant Polypeptide C Analogue rSP-C33Leu.


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
22D 1H-1H COSY1.7 mM No rSP-C33Leu -RECOMBINANT PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE C ANALOGUE-CDCl3/CD3OD/0.1 M HCl 32:64:5 (v/v)/ M1AMBIENT atm298Bruker A 600
32D 1H-1H TOCSY1.7 mM No rSP-C33Leu -RECOMBINANT PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE C ANALOGUE-CDCl3/CD3OD/0.1 M HCl 32:64:5 (v/v)/ M1AMBIENT atm298Bruker A 600
12D 1H-1H NOESY1.7 mM No rSP-C33Leu -RECOMBINANT PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE C ANALOGUE-CDCl3/CD3OD/0.1 M HCl 32:64:5 (v/v)/ M1AMBIENT atm298Bruker A 600
42D 1H-15N HSQC1.7 mM No rSP-C33Leu -RECOMBINANT PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE C ANALOGUE-CDCl3/CD3OD/0.1 M HCl 32:64:5 (v/v)/ M1AMBIENT atm298Bruker A 600
52D 1H-13C HSQC1.7 mM No rSP-C33Leu -RECOMBINANT PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE C ANALOGUE-CDCl3/CD3OD/0.1 M HCl 32:64:5 (v/v)/ M1AMBIENT atm298Bruker A 600
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerA600
NMR Refinement
MethodDetailsSoftware
distance geometryCYANA
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (medoid)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
4collectionTopSpinBruker Biospin
3chemical shift assignmentCARAKeller and Wuthrich
5geometry optimizationTALOSCornilescu, Delaglio and Bax
1structure calculationCYANA3.97Guntert, Mumenthaler and Wuthrich
2refinementOPAL3.97Luginbuhl, Guntert, Billeter and Wuthrich