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 27779

Title: 1H and 13C assignment of cyclosporine D in CDCl3   PubMed: 36837699

Deposition date: 2019-02-11 Original release date: 2019-03-11

Authors: Efimov, Sergey; Kobchikova, Polina; Klochkov, Vladimir

Citation: Kobchikova, Polina; Efimov, Sergey; Klochkov, Vladimir. "Binding of Different Cyclosporin Variants to Micelles Evidenced by NMR and MD Simulations"  Membranes (Basel) 13, 196-196 (2023).

Assembly members:
CsD, 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 shifts63
1H chemical shifts113
coupling constants31

Additional metadata:

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


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

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

2   MVA


sample_1: CsD 1.64 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
1D 1Hsample_1isotropicsample_conditions_1


SPARKY, Goddard - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

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

NMR spectrometers:

  • Bruker Avance 700 MHz