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 17154

Title: Thiostrepton (oxidized 9:CA-CB)   PubMed: 21365717

Deposition date: 2010-08-27 Original release date: 2015-07-24

Authors: Jonker, Hendrik; Baumann, Sascha; Wolf, Antje; Schoof, Sebastian; Hiller, Fabian; Schulte, Kathrin; Kirschner, Karl; Schwalbe, Harald; Arndt, Hans-Dieter

Citation: Jonker, Hendrik; Baumann, Sascha; Wolf, Antje; Schoof, Sebastian; Hiller, Fabian; Schulte, Kathrin; Kirschner, Karl; Schwalbe, Harald; Arndt, Hans-Dieter. "NMR Structures of Thiostrepton Derivatives for Characterization of the Ribosomal Binding Site"  Angew. Chem. Int. Ed. 50, 3308-3312 (2011).

Assembly members:
thiostrepton_(oxi-9), polymer, 18 residues, Formula weight is not available

Natural source:   Common Name: S. azureus   Taxonomy ID: 146537   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces azureus

Experimental source:   Production method: obtained from a vendor

Entity Sequences (FASTA):
thiostrepton_(oxi-9): XIAXASXTXXXXTXXXXX

Data sets:
Data typeCount
13C chemical shifts68
15N chemical shifts9
1H chemical shifts74

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1thiostrepton1

Entities:

Entity 1, thiostrepton 18 residues - Formula weight is not available

the polymer contains two macrocycles

1   QUAILEALADHAALASERBB9THRDBUBB9
2   TS9BB9THRBB9MH6BB9DHANH2

Samples:

sample_1: thiostrepton (oxi,9) 10 mM; chloroform-d 83%; ethanol-d5 17%

standard_condition: pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicstandard_condition
2D 1H-13C HSQCsample_1isotropicstandard_condition
2D 1H-13C TOCSY-HSQCsample_1isotropicstandard_condition
2D 1H-13C HMBCsample_1isotropicstandard_condition
2D 1H-1H NOESYsample_1isotropicstandard_condition
2D 1H-1H ROESYsample_1isotropicstandard_condition
2D 1H-1H TOCSYsample_1isotropicstandard_condition

Software:

TOPSPIN v1.3, Bruker Biospin - collection, processing

SPARKY v3.113, Goddard - chemical shift assignment, data analysis, peak picking

ARIA v1.2, Linge, O'Donoghue and Nilges - refinement

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz

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