BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30180

Title: N-terminal microdomain of 34-mers from HsDHODH - N-t(DH)   PubMed: 26086954

Authors: Crusca, E.; Munte, C.

Citation: Vicente, E.; Sahu, I.; Costa-Filho, A.; Cilli, E.; Lorigan, G.. "Conformational changes of the HsDHODH N-terminal Microdomain via DEER Spectroscopy."  J. Phys. Chem. B 119, 8693-8697 (2015).

Assembly members:
Dihydroorotate dehydrogenase (quinone), mitochondrial, polymer, 35 residues, 3831.320 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Dihydroorotate dehydrogenase (quinone), mitochondrial: GDERFYAEHLMPTLQGLLDP ESAHRLAVRFTSLGX

Data sets:
Data typeCount
13C chemical shifts51
15N chemical shifts32
1H chemical shifts235

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 35 residues - 3831.320 Da.

1   GLYASPGLUARGPHETYRALAGLUHISLEU
2   METPROTHRLEUGLNGLYLEULEUASPPRO
3   GLUSERALAHISARGLEUALAVALARGPHE
4   THRSERLEUGLYNH2

Samples:

sample_1: peptide 700 uM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 mM; pH: 7.4; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment, chemical shift calculation, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker AvanceIII 800 MHz

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