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 30693

Title: EROS3 RDC and NOE Derived Ubiquitin Ensemble   PubMed: 31838619

Deposition date: 2019-12-04 Original release date: 2020-01-02

Authors: Lange, O.; N., Lakomek; A., C.; ., .; ., .

Citation: Smith, C.; A., Mazur; K., A.; ., .; ., .; 30693, .; , 30693. "Enhancing NMR derived ensembles with kinetics on multiple timescales."  J. Biomol. NMR ., .-. (2019).

Assembly members:
entity_1, polymer, 76 residues, 8576.831 Da.

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

Experimental source:   Production method: recombinant technology' 'Escherichia coli

Entity Sequences (FASTA):
entity_1: MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG

Data sets:
Data typeCount
13C chemical shifts344
831H chemical shifts

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 76 residues - 8576.831 Da.

1   MET.306935.THR.3069311.
2   ILE.3069317.PRO.3069323.
3   ASN.3069329.GLN.3069335.
4   PRO.3069341.LEU.3069347.
5   GLN.3069353.THR.3069359.
6   ILE.3069365.LEU.3069371.
7   LEU.30693

Samples:

sample_1: Ubiquitin, [U-100% 13C; U-100% 15N], 0.9 mM; .

sample_conditions_1: ionic strength: 50 mM; 6.5: . 30693; .: atm temperature; K: 30693

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1
nonisotropicnot availablenot available
not availablenot availablenot availablenot available

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

GROMACS, Lindahl, van der Spoel, Hess, Abraham - refinement

NMR spectrometers:

  • Bruker AVANCE DRX 600 MHz
  • Bruker AVANCE DRX 700 MHz
  • Bruker AVANCE DRX 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts