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 27752

Title: 1H and 13C assignment of cyclosporine B in CDCl3

Deposition date: 2019-01-15 Original release date: 2019-01-17

Authors: Efimov, Sergey; Slivka, Aleksandra; Klochkov, Vladimir

Citation: Efimov, Sergey; Slivka, Aleksandra; Klochkov, Vladimir; Zgadzay, Yuriy. "Comparison of four cyclosporin variants A, B, C and D based on NMR spectroscopy"  .

Assembly members:
CsB, polymer, 11 residues, Formula weight is not available

Natural source:   Common Name: Tolypocladium inflatum   Taxonomy ID: 29910   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Tolypocladium inflatum

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts61
1H chemical shifts109
coupling constants33

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID


Entity 1, CsB 11 residues - Formula weight is not available

Residues 1(Bmt), 3(G), 4, 6, 9, 10, 11 are N-methylated. Residue 8 is d-Ala.

2   MVA


sample_1: CsB 0.98 mM

sample_conditions_1: pressure: 1 atm; temperature: 298.2 K


NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1


SPARKY, Goddard - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TOPSPIN v3.2, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 700 MHz